SCOPUS 정보 검색 플랫폼

Challenges and Advances in Computational Chemistry and Physics

Volumn 13, Issue , 2011, Pages 345-407

Local approximations for an efficient and accurate treatment of electron correlation and electron excitations in molecules

(6) Korona, Tatiana a Kats, Daniel b Schütz, Martin b Adler, Thomas B c Liu, Yu c Werner, Hans Joachim c

a UNIVERSITY OF WARSAW (Poland)

b UNIVERSITY OF REGENSBURG (Germany)

c UNIVERSITY OF STUTTGART (Germany)

Author keywords

Coupled cluster; Density fitting; Explicit correlation; Local CC2; Local CCSD; Local correlation

Indexed keywords

EID: 79961049412 PISSN: 25424491 EISSN: 25424483 Source Type: Book Series
DOI: 10.1007/978-90-481-2853-2_14 Document Type: Chapter

Times cited : (43)

References (189)

1
- 6944251055
- Møller C, Plesset MS (1934) Phys Rev 46:618
- (1934) Phys Rev , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

2
- 0001392512
- Čížek J (1966) J Chem Phys 45:4256
- (1966) J Chem Phys , vol.45 , pp. 4256
- Čížek, J.¹

3
- 0000122016
- Purvis GD, Bartlett RJ (1982) J Chem Phys 76:1910
- (1982) J Chem Phys , vol.76 , pp. 1910
- Purvis, G.D.¹ Bartlett, R.J.²

4
- 0006244148
- Raghavachari K, Trucks GW, Pople JA, Head-Gordon M (1989) Chem Phys Lett 157:479
- (1989) Chem Phys Lett , vol.157 , pp. 479
- Raghavachari, K.¹ Trucks, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

5
- 0034229241
- Kállay M, Surján PR (2000) J Chem Phys 113:1359
- (2000) J Chem Phys , vol.113 , pp. 1359
- Kállay, M.¹ Surján, P.R.²

6
- 0035880942
- Kállay M, Surján PR (2001) J Chem Phys 115:2945
- (2001) J Chem Phys , vol.115 , pp. 2945
- Kállay, M.¹ Surján, P.R.²

7
- 0037101073
- Kállay M, Szalay PG, Surján PR (2002) J Chem Phys 117:980
- (2002) J Chem Phys , vol.117 , pp. 980
- Kállay, M.¹ Szalay, P.G.² Surján, P.R.³

8
- 0345566357
- Hirata S (2003) J Phys Chem A 107:9887
- (2003) J Phys Chem A , vol.107 , pp. 9887
- Hirata, S.¹

9
- 0034321108
- Olsen J (2000) J Chem Phys 113:7140
- (2000) J Chem Phys , vol.113 , pp. 7140
- Olsen, J.¹

10
- 0001232986
- Knowles PJ, Handy NC (1984) Chem Phys Lett 111:315
- (1984) Chem Phys Lett , vol.111 , pp. 315
- Knowles, P.J.¹ Handy, N.C.²

11
- 59949093519
- Knizia G, Adler TB, Werner HJ (2009) J Chem Phys 130:054104
- (2009) J Chem Phys , vol.130
- Knizia, G.¹ Adler, T.B.² Werner, H.J.³

12
- 59949093518
- Adler TB, Werner HJ, Manby FR (2009) J Chem Phys 130:054106
- (2009) J Chem Phys , vol.130
- Adler, T.B.¹ Werner, H.J.² Manby, F.R.³

13
- 67650496621
- Adler TB, Werner HJ (2009) J Chem Phys 130:241101
- (2009) J Chem Phys , vol.130 , pp. 241101
- Adler, T.B.¹ Werner, H.J.²

14
- 33746216303
- Klopper W, Manby FR, Ten-no S, Valeev EF (2006) Int Rev Phys Chem 25:427
- (2006) Int Rev Phys Chem , vol.25 , pp. 427
- Klopper, W.¹ Manby, F.R.² Ten-No, S.³ Valeev, E.F.⁴

15
- 85073202197
- Cársky P, Paldus J, Pittner J, Springer, Heidelberg, p
- Werner HJ, Adler TB, Knizia G, Manby FR (2010) In: Cársky P, Paldus J, Pittner J (eds) Recent progress in coupled cluster methods. Springer, Heidelberg, p 573
- (2010) Recent Progress in Coupled Cluster Methods , pp. 573
- Werner, H.J.¹ Adler, T.B.² Knizia, G.³ Manby, F.R.⁴

16
- 84857053355
- Cársky P, Paldus J, Pittner J, Springer, Heidelberg, p
- Tew DP, Hättig C, Bachorz RA, Klopper W (2010) In: Cársky P, Paldus J, Pittner J (eds) Recent progress in coupled cluster methods. Springer, Heidelberg, p 535
- (2010) Recent Progress in Coupled Cluster Methods , pp. 535
- Tew, D.P.¹ Hättig, C.² Bachorz, R.A.³ Klopper, W.⁴

17
- 84987142183
- Monkhorst HJ (1977) Int J Quantum Chem Symp 11:421
- (1977) Int J Quantum Chem Symp , vol.11 , pp. 421
- Monkhorst, H.J.¹

18
- 84987143376
- Sekino H, Bartlett RJ (1984) Int J Quantum Chem Symp 18:255
- (1984) Int J Quantum Chem Symp , vol.18 , pp. 255
- Sekino, H.¹ Bartlett, R.J.²

19
- 36448999950
- Stanton JF, Bartlett RJ (1993) J Chem Phys 98:7029
- (1993) J Chem Phys , vol.98 , pp. 7029
- Stanton, J.F.¹ Bartlett, R.J.²

20
- 10844225583
- Christiansen O, Koch H, Jørgensen P (1995) Chem Phys Lett 243:409
- (1995) Chem Phys Lett , vol.243 , pp. 409
- Christiansen, O.¹ Koch, H.² Jørgensen, P.³

21
- 0001701339
- Pulay P (1983) Chem Phys Lett 100:151
- (1983) Chem Phys Lett , vol.100 , pp. 151
- Pulay, P.¹

22
- 0002342415
- Saebø S, Pulay P (1985) Chem Phys Lett 113:13
- (1985) Chem Phys Lett , vol.113 , pp. 13
- Saebø, S.¹ Pulay, P.²

23
- 34250126673
- Pulay P, Saebø S (1986) Theor Chim Acta 69:357
- (1986) Theor Chim Acta , vol.69 , pp. 357
- Pulay, P.¹ Saebø, S.²

24
- 0001260286
- Hampel C, Werner HJ (1996) J Chem Phys 104:6286
- (1996) J Chem Phys , vol.104 , pp. 6286
- Hampel, C.¹ Werner, H.J.²

25
- 0032568741
- Hetzer G, Pulay P, Werner HJ (1998) Chem Phys Lett 290:143
- (1998) Chem Phys Lett , vol.290 , pp. 143
- Hetzer, G.¹ Pulay, P.² Werner, H.J.³

26
- 0346498124
- Schütz M, Hetzer G, Werner HJ (1999) J Chem Phys 111:5691
- (1999) J Chem Phys , vol.111 , pp. 5691
- Schütz, M.¹ Hetzer, G.² Werner, H.J.³

27
- 0034510366
- Hetzer G, Schütz M, Stoll H, Werner HJ (2000) J Chem Phys 113:9443
- (2000) J Chem Phys , vol.113 , pp. 9443
- Hetzer, G.¹ Schütz, M.² Stoll, H.³ Werner, H.J.⁴

28
- 0038251898
- Schütz M, Werner HJ (2000) Chem Phys Lett 318:370
- (2000) Chem Phys Lett , vol.318 , pp. 370
- Schütz, M.¹ Werner, H.J.²

29
- 0037576213
- Schütz M (2000) J Chem Phys 113:9986
- (2000) J Chem Phys , vol.113 , pp. 9986
- Schütz, M.¹

30
- 0037618360
- Schütz M, Werner HJ (2001) J Chem Phys 114:661
- (2001) J Chem Phys , vol.114 , pp. 661
- Schütz, M.¹ Werner, H.J.²

31
- 0037157291
- Schütz M (2002) J Chem Phys 113:8772
- (2002) J Chem Phys , vol.113 , pp. 8772
- Schütz, M.¹

32
- 0036038045
- Schütz M (2002) Phys Chem Chem Phys 4:3941
- (2002) Phys Chem Chem Phys , vol.4 , pp. 3941
- Schütz, M.¹

33
- 33747615553
- Werner HJ, Knowles PJ, Manby FR, Schütz M, Celani P, Knizia G, Korona T, Lindh R, Mitrushenkov A, Rauhut G, Adler TB, Amos RD, Bernhardsson A, Berning A, Cooper DL, Deegan MJO, Dobbyn AJ, Eckert F, Goll E, Hampel C, Heßelmann A, Hetzer G, Hrenar T, Jansen G, Köppl C, Liu Y, Lloyd AW, Mata RA, May AJ, McNicholas SJ, Meyer W, Mura ME, Nicklass A, Palmieri P, Pflüger K, Pitzer R, Reiher M, Shiozaki T, Stoll H, Stone AJ, Tarroni R, Thorsteinsson T, Wang M, Wolf A (2010) Molpro, version 2010.1, a package of ab initio programs. http://www.molpro.net
- (2010) Molpro, Version 2010.1, a Package of Ab Initio Programs
- Werner, H.J.¹ Knowles, P.J.² Manby, F.R.³ Schütz, M.⁴ Celani, P.⁵ Knizia, G.⁶ Korona, T.⁷ Lindh, R.⁸ Mitrushenkov, A.⁹ Rauhut, G.¹⁰ Adler, T.B.¹¹ Amos, R.D.¹² Bernhardsson, A.¹³ Berning, A.¹⁴ Cooper, D.L.¹⁵ Deegan, M.J.O.¹⁶ Dobbyn, A.J.¹⁷ Eckert, F.¹⁸ Goll, E.¹⁹ Hampel, C.²⁰ more..

34
- 0000522267
- El Azhary A, Rauhut G, Pulay P, Werner HJ (1998) J Chem Phys 108:5185
- (1998) J Chem Phys , vol.108 , pp. 5185
- El Azhary, A.¹ Rauhut, G.² Pulay, P.³ Werner, H.J.⁴

35
- 0035162405
- Rauhut G, Werner HJ (2001) Phys Chem Chem Phys 3:4853
- (2001) Phys Chem Chem Phys , vol.3 , pp. 4853
- Rauhut, G.¹ Werner, H.J.²

36
- 3242693466
- Schütz M, Werner HJ, Lindh R, Manby FR (2004) J Chem Phys 121:737
- (2004) J Chem Phys , vol.121 , pp. 737
- Schütz, M.¹ Werner, H.J.² Lindh, R.³ Manby, F.R.⁴

37
- 2942520101
- Korona T, Pflüger K, Werner HJ (2004) Phys Chem Chem Phys 6:2059
- (2004) Phys Chem Chem Phys , vol.6 , pp. 2059
- Korona, T.¹ Pflüger, K.² Werner, H.J.³

38
- 85073170240
- Thesis, University of Stuttgart
- Pflüger K (2008) Thesis, University of Stuttgart
- (2008)
- Pflüger, K.¹

39
- 9644254265
- Russ NJ, Crawford TD (2004) Chem Phys Lett 400:104
- (2004) Chem Phys Lett , vol.400 , pp. 104
- Russ, N.J.¹ Crawford, T.D.²

40
- 0037440857
- Korona T, Werner HJ (2003) J Chem Phys 118:3006
- (2003) J Chem Phys , vol.118 , pp. 3006
- Korona, T.¹ Werner, H.J.²

41
- 33748706208
- Kats D, Korona T, Schütz M (2006) J Chem Phys 125:104106
- (2006) J Chem Phys , vol.125
- Kats, D.¹ Korona, T.² Schütz, M.³

42
- 34547924141
- Kats D, Korona T, Schütz M (2007) J Chem Phys 127:064107
- (2007) J Chem Phys , vol.127
- Kats, D.¹ Korona, T.² Schütz, M.³

43
- 70349620956
- Kats D, Schütz M (2009) J Chem Phys 131:124117
- (2009) J Chem Phys , vol.131
- Kats, D.¹ Schütz, M.²

44
- 77953303349
- Kats D, Schütz M (2010) Z Phys Chem 224:601
- (2010) Z Phys Chem , vol.224 , pp. 601
- Kats, D.¹ Schütz, M.²

45
- 22944484705
- Pisani C, Busso M, Capecchi G, Casassa S, Dovesi R, Maschio L, Zicovich-Wilson C, Schütz M (2005) J Chem Phys 122:094113
- (2005) J Chem Phys , vol.122
- Pisani, C.¹ Busso, M.² Capecchi, G.³ Casassa, S.⁴ Dovesi, R.⁵ Maschio, L.⁶ Zicovich-Wilson, C.⁷ Schütz, M.⁸

46
- 34547684674
- Maschio L, Usvyat D, Pisani C, Manby FR, Casassa S, Schütz M (2007) Phys Rev B 76:075101
- (2007) Phys Rev B , vol.76
- Maschio, L.¹ Usvyat, D.² Pisani, C.³ Manby, F.R.⁴ Casassa, S.⁵ Schütz, M.⁶

47
- 49249134707
- Maschio L, Usvyat D (2008) Phys Rev B 78:073102
- (2008) Phys Rev B , vol.78
- Maschio, L.¹ Usvyat, D.²

48
- 77953295078
- Usvyat D, Maschio L, Pisani C, Schütz M (2010) Z Phys Chem 224:441
- (2010) Z Phys Chem , vol.224 , pp. 441
- Usvyat, D.¹ Maschio, L.² Pisani, C.³ Schütz, M.⁴

49
- 84855368121
- Taylor and Francis Group, Abingdon, p
- Schütz M, Usvyat D, Lorenz M, Pisani C, Maschio L, Casassa S, Halo M (2010) In: Manby FR (ed) Accurate condensed-phase quantum chemistry. Taylor and Francis Group, Abingdon, p 29
- (2010) In: Manby FR (Ed) Accurate Condensed-Phase Quantum Chemistry , pp. 29
- Schütz, M.¹ Usvyat, D.² Lorenz, M.³ Pisani, C.⁴ Maschio, L.⁵ Casassa, S.⁶ Halo, M.⁷

50
- 0032579071
- Maslen PE, Head-Gordon M (1998) Chem Phys Lett 283:102
- (1998) Chem Phys Lett , vol.283 , pp. 102
- Maslen, P.E.¹ Head-Gordon, M.²

51
- 0001443309
- Scuseria GE, Ayala PY (1999) J Chem Phys 111:8330
- (1999) J Chem Phys , vol.111 , pp. 8330
- Scuseria, G.E.¹ Ayala, P.Y.²

52
- 33746094646
- Auer AA, Nooijen M (2006) J Chem Phys 125:024104
- (2006) J Chem Phys , vol.125
- Auer, A.A.¹ Nooijen, M.²

53
- 0000075382
- Maslen PE, Head-Gordon M (1998) J Chem Phys 109:7093
- (1998) J Chem Phys , vol.109 , pp. 7093
- Maslen, P.E.¹ Head-Gordon, M.²

54
- 0000216571
- Lee MS, Maslen PE, Head-Gordon M (2000) J Chem Phys 112:3592
- (2000) J Chem Phys , vol.112 , pp. 3592
- Lee, M.S.¹ Maslen, P.E.² Head-Gordon, M.³

55
- 24144490637
- Maslen PE, Dutoi AD, Lee MS, Shao YH, Head-Gordon M (2005) Mol Phys 103:425
- (2005) Mol Phys , vol.103 , pp. 425
- Maslen, P.E.¹ Dutoi, A.D.² Lee, M.S.³ Shao, Y.H.⁴ Head-Gordon, M.⁵

56
- 24144460648
- Subotnik JE, Head-Gordon M (2005) J Chem Phys 123:064108
- (2005) J Chem Phys , vol.123
- Subotnik, J.E.¹ Head-Gordon, M.²

57
- 33747595450
- Subotnik JE, Sodt A, Head-Gordon M (2006) J Chem Phys 125:074116
- (2006) J Chem Phys , vol.125
- Subotnik, J.E.¹ Sodt, A.² Head-Gordon, M.³

58
- 33845303201
- Sodt A, Subotnik JE, Head-Gordon M (2006) J Chem Phys 125:194109
- (2006) J Chem Phys , vol.125
- Sodt, A.¹ Subotnik, J.E.² Head-Gordon, M.³

59
- 38349151222
- Subotnik JE, Sodt A, Head-Gordon M (2008) J Chem Phys 128:034103
- (2008) J Chem Phys , vol.128
- Subotnik, J.E.¹ Sodt, A.² Head-Gordon, M.³

60
- 47249118330
- Subotnik JE, Head-Gordon M (2008) J Phys Condens Matter 20:294211
- (2008) J Phys Condens Matter , vol.20
- Subotnik, J.E.¹ Head-Gordon, M.²

61
- 45449099353
- Chwee TS, Szilva AB, Lindh R, Carter EA (2008) J Chem Phys 128:224106
- (2008) J Chem Phys , vol.128
- Chwee, T.S.¹ Szilva, A.B.² Lindh, R.³ Carter, E.A.⁴

62
- 69149084085
- Neese F, Hansen A, Liakos DG (2009) J Chem Phys 131:064103
- (2009) J Chem Phys , vol.131
- Neese, F.¹ Hansen, A.² Liakos, D.G.³

63
- 63149140829
- Neese F, Wennmohs F, Hansen A (2009) J Chem Phys 130:114108
- (2009) J Chem Phys , vol.130
- Neese, F.¹ Wennmohs, F.² Hansen, A.³

64
- 0009478153
- Förner W, Ladik J, Otto P, Čížek J (1985) Chem Phys 97:251
- (1985) Chem Phys , vol.97 , pp. 251
- Förner, W.¹ Ladik, J.² Otto, P.³ Čížek, J.⁴

65
- 0037196277
- Li S, Ma J, Jiang Y (2002) J Comput Chem 23:237
- (2002) J Comput Chem , vol.23 , pp. 237
- Li, S.¹ Ma, J.² Jiang, Y.³

66
- 72949117831
- Li W, Piecuch P, Gour JR, Li S (2009) J Chem Phys 131:114109
- (2009) J Chem Phys , vol.131 , pp. 114109
- Li, W.¹ Piecuch, P.² Gour, J.R.³ Li, S.⁴

67
- 11144341571
- Flocke N, Bartlett RJ (2004) J Chem Phys 121:10935
- (2004) J Chem Phys , vol.121
- Flocke, N.¹ Bartlett, R.J.²

68
- 47749125375
- Hughes TF, Flocke N, Bartlett RJ (2008) J Phys Chem A 112:5994
- (2008) J Phys Chem A , vol.112 , pp. 5994
- Hughes, T.F.¹ Flocke, N.² Bartlett, R.J.³

69
- 34247330993
- Friedrich J, Hanrath M, Dolg M (2007) J Chem Phys 126:154110
- (2007) J Chem Phys , vol.126
- Friedrich, J.¹ Hanrath, M.² Dolg, M.³

70
- 42649100967
- Friedrich J, Hanrath M, Dolg M (2008) Chem Phys 346:266
- (2008) Chem Phys , vol.346 , pp. 266
- Friedrich, J.¹ Hanrath, M.² Dolg, M.³

71
- 58149234030
- Friedrich J, Dolg M (2008) J Chem Phys 129:244105
- (2008) J Chem Phys , vol.129
- Friedrich, J.¹ Dolg, M.²

72
- 65249088474
- Friedrich J, Dolg M (2009) J Chem Theory Comput 5:287
- (2009) J Chem Theory Comput , vol.5 , pp. 287
- Friedrich, J.¹ Dolg, M.²

73
- 70449369645
- Friedrich J, Coriani S, Helgaker T, Dolg M (2009) J Chem Phys 131:154102
- (2009) J Chem Phys , vol.131
- Friedrich, J.¹ Coriani, S.² Helgaker, T.³ Dolg, M.⁴

74
- 0001303496
- Stoll H (1992) J Chem Phys 97:8449
- (1992) J Chem Phys , vol.97 , pp. 8449
- Stoll, H.¹

75
- 44949246345
- Kats D, Usvyat D, Schütz M (2008) Phys Chem Chem Phys 10:3430
- (2008) Phys Chem Chem Phys , vol.10 , pp. 3430
- Kats, D.¹ Usvyat, D.² Schütz, M.³

76
- 3142753249
- Pipek J, Mezey PG (1989) J Chem Phys 90:4916
- (1989) J Chem Phys , vol.90 , pp. 4916
- Pipek, J.¹ Mezey, P.G.²

77
- 0003806762
- Löwdin PO, Academic Press, New York, NY, p
- Boys SF (1966) In: Löwdin PO (ed) Quantum theory of atoms, molecules, and the solid state. Academic Press, New York, NY, p 253
- (1966) Quantum Theory of Atoms, Molecules, and the Solid State , pp. 253
- Boys, S.F.¹

78
- 36549103221
- Reed AE, Weinhold F (1985) J Chem Phys 83:1736
- (1985) J Chem Phys , vol.83 , pp. 1736
- Reed, A.E.¹ Weinhold, F.²

79
- 38849155244
- Mata R, Werner HJ (2007) Mol Phys 105:2753
- (2007) Mol Phys , vol.105 , pp. 2753
- Mata, R.¹ Werner, H.J.²

80
- 0001018270
- Boughton JW, Pulay P (1993) J Comput Chem 14:736
- (1993) J Comput Chem , vol.14 , pp. 736
- Boughton, J.W.¹ Pulay, P.²

81
- 33746614482
- Dunning TH Jr (1989) J Chem Phys 90:1007
- (1989) J Chem Phys , vol.90 , pp. 1007
- Dunning, T.H.¹

82
- 33750976429
- Werner HJ, Pflüger K (2006) Annu Rep Comput Chem 2:53
- (2006) Annu Rep Comput Chem , vol.2 , pp. 53
- Werner, H.J.¹ Pflüger, K.²

83
- 16444378435
- Löwdin PO (1950) J Chem Phys 18:365
- (1950) J Chem Phys , vol.18 , pp. 365
- Löwdin, P.O.¹

84
- 36148995600
- Reed AE, Weinstock RB, Weinhold F (1985) J Chem Phys 83:735
- (1985) J Chem Phys , vol.83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

85
- 33750989044
- Mata R, Werner HJ (2006) J Chem Phys 125:184110
- (2006) J Chem Phys , vol.125
- Mata, R.¹ Werner, H.J.²

86
- 3242728680
- Russ NJ, Crawford TD (2004) J Chem Phys 121:691
- (2004) J Chem Phys , vol.121 , pp. 691
- Russ, N.J.¹ Crawford, T.D.²

87
- 42149189362
- Mata R, Werner HJ, Schütz M (2008) J Chem Phys 128:144106
- (2008) J Chem Phys , vol.128 , pp. 144106
- Mata, R.¹ Werner, H.J.² Schütz, M.³

88
- 0001519072
- Humbel S, Sieber S, Morokuma K (1996) J Chem Phys 105:1959
- (1996) J Chem Phys , vol.105 , pp. 1959
- Humbel, S.¹ Sieber, S.² Morokuma, K.³

89
- 0033515394
- Dapprich S, Komáromi I, Byun KS, Morokuma K, Frisch MJ (1999) J Mol Struct THEOCHEM 461:1
- (1999) J Mol Struct THEOCHEM , vol.461 , pp. 1
- Dapprich, S.¹ Komáromi, I.² Byun, K.S.³ Morokuma, K.⁴ Frisch, M.J.⁵

90
- 84986524957
- Pulay P (1980) Chem Phys Lett 73:393
- (1980) Chem Phys Lett , vol.73 , pp. 393
- Pulay, P.¹

91
- 36749115706
- Meyer W (1976) J Chem Phys 64:2901
- (1976) J Chem Phys , vol.64 , pp. 2901
- Meyer, W.¹

92
- 0002745201
- Hampel C, Peterson KA, Werner HJ (1992) Chem Phys Lett 190:1
- (1992) Chem Phys Lett , vol.190 , pp. 1
- Hampel, C.¹ Peterson, K.A.² Werner, H.J.³

93
- 85073153818
- to be published
- Liu Y, Werner HJ (2010) to be published
- (2010)
- Liu, Y.¹ Werner, H.J.²

94
- 36449001370
- Knowles PJ, Hampel C, Werner HJ (1993) J Chem Phys 99:5219
- (1993) J Chem Phys , vol.99 , pp. 5219
- Knowles, P.J.¹ Hampel, C.² Werner, H.J.³

95
- 0001361307
- Knowles PJ, Hampel C, Werner HJ (2000) J Chem Phys 112:3106
- (2000) J Chem Phys , vol.112 , pp. 3106
- Knowles, P.J.¹ Hampel, C.² Werner, H.J.³

96
- 3643114912
- Amos RD, Andrews JS, Handy NC, Knowles PJ (1991) Chem Phys Lett 185:256
- (1991) Chem Phys Lett , vol.185 , pp. 256
- Amos, R.D.¹ Andrews, J.S.² Handy, N.C.³ Knowles, P.J.⁴

97
- 0002660075
- Lauderdale WJ, Stanton JF, Gauss J, Watts JD, Bartlett RJ (1991) Chem Phys Lett 187:21
- (1991) Chem Phys Lett , vol.187 , pp. 21
- Lauderdale, W.J.¹ Stanton, J.F.² Gauss, J.³ Watts, J.D.⁴ Bartlett, R.J.⁵

98
- 0000600475
- Kutzelnigg W (1985) Theor Chim Acta 68:445
- (1985) Theor Chim Acta , vol.68 , pp. 445
- Kutzelnigg, W.¹

99
- 0002809651
- Klopper W, Kutzelnigg W (1987) Chem Phys Lett 134:17
- (1987) Chem Phys Lett , vol.134 , pp. 17
- Klopper, W.¹ Kutzelnigg, W.²

100
- 33751554854
- Klopper W, Kutzelnigg W (1990) J Phys Chem 94:5625
- (1990) J Phys Chem , vol.94 , pp. 5625
- Klopper, W.¹ Kutzelnigg, W.²

101
- 0001362758
- Klopper W (1991) Chem Phys Lett 186:583
- (1991) Chem Phys Lett , vol.186 , pp. 583
- Klopper, W.¹

102
- 0001349991
- Klopper W, Röhse R, Kutzelnigg W (1991) Chem Phys Lett 178:455
- (1991) Chem Phys Lett , vol.178 , pp. 455
- Klopper, W.¹ Röhse, R.² Kutzelnigg, W.³

103
- 0042451072
- Kutzelnigg W, Klopper W (1991) J Chem Phys 94:1985
- (1991) J Chem Phys , vol.94 , pp. 1985
- Kutzelnigg, W.¹ Klopper, W.²

104
- 0000828171
- Termath V, Klopper W, Kutzelnigg W (1991) J Chem Phys 94:2002
- (1991) J Chem Phys , vol.94 , pp. 2002
- Termath, V.¹ Klopper, W.² Kutzelnigg, W.³

105
- 0037091216
- Klopper W, Samson CCM (2002) J Chem Phys 116:6397
- (2002) J Chem Phys , vol.116 , pp. 6397
- Klopper, W.¹ Samson, C.C.M.²

106
- 4444367231
- Valeev EF (2004) Chem Phys Lett 395:190
- (2004) Chem Phys Lett , vol.395 , pp. 190
- Valeev, E.F.¹

107
- 5744249665
- Ten-no S (2004) Chem Phys Lett 398:56
- (2004) Chem Phys Lett , vol.398 , pp. 56
- Ten-No, S.¹

108
- 4544268839
- May AJ, Manby FR (2004) J Chem Phys 121:4479
- (2004) J Chem Phys , vol.121 , pp. 4479
- May, A.J.¹ Manby, F.R.²

109
- 34547647924
- Tew DP, Klopper W (2005) J Chem Phys 123:074101
- (2005) J Chem Phys , vol.123
- Tew, D.P.¹ Klopper, W.²

110
- 34247633618
- Werner HJ, Adler TB, Manby FR (2007) J Chem Phys 126:164102
- (2007) J Chem Phys , vol.126
- Werner, H.J.¹ Adler, T.B.² Manby, F.R.³

111
- 37149036190
- Adler TB, Knizia G, Werner HJ (2007) J Chem Phys 127:221106
- (2007) J Chem Phys , vol.127
- Adler, T.B.¹ Knizia, G.² Werner, H.J.³

112
- 42449133459
- Knizia G, Werner HJ (2008) J Chem Phys 128:154103
- (2008) J Chem Phys , vol.128
- Knizia, G.¹ Werner, H.J.²

113
- 32044436959
- Werner HJ, Manby FR (2006) J Chem Phys 124:054114
- (2006) J Chem Phys , vol.124
- Werner, H.J.¹ Manby, F.R.²

114
- 34547853991
- Manby FR, Werner HJ, Adler TB, May AJ (2006) J Chem Phys 124:094103
- (2006) J Chem Phys , vol.124
- Manby, F.R.¹ Werner, H.J.² Adler, T.B.³ May, A.J.⁴

115
- 51749086602
- Werner HJ (2008) J Chem Phys 129:101103
- (2008) J Chem Phys , vol.129
- Werner, H.J.¹

116
- 84980086883
- Kato T (1957) Commun Pure Appl Math 10:151
- (1957) Commun Pure Appl Math , vol.10 , pp. 151
- Kato, T.¹

117
- 0001436452
- Pack RT, Byers Brown W (1966) J Chem Phys 45:556
- (1966) J Chem Phys , vol.45 , pp. 556
- Pack, R.T.¹ Byers Brown, W.²

118
- 3142707293
- Ten-no S (2004) J Chem Phys 121:117
- (2004) J Chem Phys , vol.121 , pp. 117
- Ten-No, S.¹

119
- 0347767006
- Schütz M, Lindh R, Werner HJ (1999) Mol Phys 96:719
- (1999) Mol Phys , vol.96 , pp. 719
- Schütz, M.¹ Lindh, R.² Werner, H.J.³

120
- 85073149680
- University of Wisconsin, Report WIS-AF-13
- Boys SF, Shavitt I, University of Wisconsin (1959) Report WIS-AF-13
- (1959)
- Boys, S.F.¹ Shavitt, I.²

121
- 36849099978
- Whitten JL (1973) J Chem Phys 58:4496
- (1973) J Chem Phys , vol.58 , pp. 4496
- Whitten, J.L.¹

122
- 0038023343
- Baerends EJ, Ellis DE, Ros P (1973) Chem Phys 2:41
- (1973) Chem Phys , vol.2 , pp. 41
- Baerends, E.J.¹ Ellis, D.E.² Ros, P.³

123
- 0001785244
- Früchtl HA, Kendall RA, Harrison RJ, Dyall KG (1997) Int J Quantum Chem 64:63
- (1997) Int J Quantum Chem , vol.64 , pp. 63
- Früchtl, H.A.¹ Kendall, R.A.² Harrison, R.J.³ Dyall, K.G.⁴

124
- 0036385792
- Weigend F (2002) Phys Chem Chem Phys 4:4285
- (2002) Phys Chem Chem Phys , vol.4 , pp. 4285
- Weigend, F.¹

125
- 10844224532
- Polly R, Werner HJ, Manby FR, Knowles PJ (2004) Mol Phys 102:2311
- (2004) Mol Phys , vol.102 , pp. 2311
- Polly, R.¹ Werner, H.J.² Manby, F.R.³ Knowles, P.J.⁴

126
- 77951123751
- Loibl S, Manby FR, Schütz M (2010) Mol Phys 108:477
- (2010) Mol Phys , vol.108 , pp. 477
- Loibl, S.¹ Manby, F.R.² Schütz, M.³

127
- 20344365516
- Vahtras O, Almlöf J, Feyereisen MW (1993) Chem Phys Lett 213:514
- (1993) Chem Phys Lett , vol.213 , pp. 514
- Vahtras, O.¹ Almlöf, J.² Feyereisen, M.W.³

128
- 20344381993
- Feyereisen MW, Fitzgerald G, Komornicki A (1993) Chem Phys Lett 208:359
- (1993) Chem Phys Lett , vol.208 , pp. 359
- Feyereisen, M.W.¹ Fitzgerald, G.² Komornicki, A.³

129
- 0040759177
- Weigend F, Häser M, Patzelt H, Ahlrichs R (1998) Chem Phys Lett 294:143
- (1998) Chem Phys Lett , vol.294 , pp. 143
- Weigend, F.¹ Häser, M.² Patzelt, H.³ Ahlrichs, R.⁴

130
- 0037154597
- Weigend F, Köhn A, Hättig C (2002) J Chem Phys 116:3175
- (2002) J Chem Phys , vol.116 , pp. 3175
- Weigend, F.¹ Köhn, A.² Hättig, C.³

131
- 0038137433
- Werner HJ, Manby FR, Knowles P (2003) J Chem Phys 118:8149
- (2003) J Chem Phys , vol.118 , pp. 8149
- Werner, H.J.¹ Manby, F.R.² Knowles, P.³

132
- 0034301458
- Hättig C, Weigend F (2000) J Chem Phys 113:5154
- (2000) J Chem Phys , vol.113 , pp. 5154
- Hättig, C.¹ Weigend, F.²

133
- 0141453130
- Manby FR (2003) J Chem Phys 119:4607
- (2003) J Chem Phys , vol.119 , pp. 4607
- Manby, F.R.¹

134
- 0001188539
- Rendell AP, Lee TJ (1994) J Chem Phys 101:400
- (1994) J Chem Phys , vol.101 , pp. 400
- Rendell, A.P.¹ Lee, T.J.²

135
- 4644226269
- Schütz M, Manby FR (2003) Phys Chem Chem Phys 5:3349
- (2003) Phys Chem Chem Phys , vol.5 , pp. 3349
- Schütz, M.¹ Manby, F.R.²

136
- 22944489600
- Heßelmann A, Jansen G, Schütz M (2005) J Chem Phys 122:014103
- (2005) J Chem Phys , vol.122
- Heßelmann, A.¹ Jansen, G.² Schütz, M.³

137
- 28844443869
- Bukowski R, Podeszwa R, Szalewicz K (2005) Chem Phys Lett 414:111
- (2005) Chem Phys Lett , vol.414 , pp. 111
- Bukowski, R.¹ Podeszwa, R.² Szalewicz, K.³

138
- 42149131422
- Korona T, Jeziorski B (2008) J Chem Phys 128:144107
- (2008) J Chem Phys , vol.128 , pp. 144107
- Korona, T.¹ Jeziorski, B.²

139
- 73949090432
- Korona T (2009) J Chem Theory Comput 5:2663
- (2009) J Chem Theory Comput , vol.5 , pp. 2663
- Korona, T.¹

140
- 0034658515
- Dunlap BI (2000) Phys Chem Chem Phys 2:2113
- (2000) Phys Chem Chem Phys , vol.2 , pp. 2113
- Dunlap, B.I.¹

141
- 0034623272
- Dunlap BI (2000) J Mol Struct THEOCHEM 529:37
- (2000) J Mol Struct THEOCHEM , vol.529 , pp. 37
- Dunlap, B.I.¹

142
- 0034725006
- Dunlap BI (2000) J Mol Struct THEOCHEM 501–502:221
- (2000) J Mol Struct THEOCHEM , vol.501-502 , pp. 221
- Dunlap, B.I.¹

143
- 0038924893
- Christiansen O, Jørgensen P, Hättig C (1998) Int J Quantum Chem 68:1
- (1998) Int J Quantum Chem , vol.68 , pp. 1
- Christiansen, O.¹ Jørgensen, P.² Hättig, C.³

144
- 38349088635
- Wheatley RJ (2008) J Comput Chem 29:445
- (2008) J Comput Chem , vol.29 , pp. 445
- Wheatley, R.J.¹

145
- 50549182366
- Thouless DJ (1960) Nucl Phys 21:225
- (1960) Nucl Phys , vol.21 , pp. 225
- Thouless, D.J.¹

146
- 36549092414
- Handy NC, Schaefer HF III (1984) J Chem Phys 81:5031
- (1984) J Chem Phys , vol.81 , pp. 5031
- Handy, N.C.¹ Schaefer, H.F.²

147
- 0001604933
- Jørgensen P, Helgaker T (1988) J Chem Phys 89:1560
- (1988) J Chem Phys , vol.89 , pp. 1560
- Jørgensen, P.¹ Helgaker, T.²

148
- 0000703066
- Foresman JB, Head-Gordon M, Pople JA, Frisch MJ (1992) J Phys Chem 96:135
- (1992) J Phys Chem , vol.96 , pp. 135
- Foresman, J.B.¹ Head-Gordon, M.² Pople, J.A.³ Frisch, M.J.⁴

149
- 5344230920
- Davidson ER (1975) J Comput Phys 17:87
- (1975) J Comput Phys , vol.17 , pp. 87
- Davidson, E.R.¹

150
- 0000894889
- Hirao K, Nakatsuji H (1982) J Comput Phys 45:246
- (1982) J Comput Phys , vol.45 , pp. 246
- Hirao, K.¹ Nakatsuji, H.²

151
- 0037146743
- Crawford DT, King RA (2002) Chem Phys Lett 366:611
- (2002) Chem Phys Lett , vol.366 , pp. 611
- Crawford, D.T.¹ King, R.A.²

152
- 85073168015
- Unpublished
- Korona T, Werner HJ. Unpublished
- Korona, T.¹ Werner, H.J.²

153
- 0000826098
- Butscher W, Kammer WE (1976) J Comput Phys 20:313
- (1976) J Comput Phys , vol.20 , pp. 313
- Butscher, W.¹ Kammer, W.E.²

154
- 0037109578
- Hättig C, Köhn A (2002) J Chem Phys 117:6939
- (2002) J Chem Phys , vol.117 , pp. 6939
- Hättig, C.¹ Köhn, A.²

155
- 0141428905
- Köhn A, Hättig C (2003) J Chem Phys 119:5021
- (2003) J Chem Phys , vol.119 , pp. 5021
- Köhn, A.¹ Hättig, C.²

156
- 0001277795
- Almlöf J (1991) Chem Phys Lett 181:319
- (1991) Chem Phys Lett , vol.181 , pp. 319
- Almlöf, J.¹

157
- 36449001643
- Häser M, Amlöf J (1992) J Chem Phys 96:489
- (1992) J Chem Phys , vol.96 , pp. 489
- Häser, M.¹ Amlöf, J.²

158
- 9344262871
- Rauhut G, Azhary AE, Eckert F, Schumann U, Werner HJ (1999) Spectrochim Acta A 55:647
- (1999) Spectrochim Acta A , vol.55 , pp. 647
- Rauhut, G.¹ Azhary, A.E.² Eckert, F.³ Schumann, U.⁴ Werner, H.J.⁵

159
- 0038290562
- Rauhut G, Werner HJ (2003) Phys Chem Chem Phys 5:2001
- (2003) Phys Chem Chem Phys , vol.5 , pp. 2001
- Rauhut, G.¹ Werner, H.J.²

160
- 25444491725
- Hrenar T, Werner HJ, Rauhut G (2005) Phys Chem Chem Phys 7:3123
- (2005) Phys Chem Chem Phys , vol.7 , pp. 3123
- Hrenar, T.¹ Werner, H.J.² Rauhut, G.³

161
- 33644765139
- Hrenar T, Rauhut G, Werner HJ (2006) J Phys Chem A 110:2060
- (2006) J Phys Chem A , vol.110 , pp. 2060
- Hrenar, T.¹ Rauhut, G.² Werner, H.J.³

162
- 34047275110
- Hrenar T, Werner HJ, Rauhut G (2007) J Chem Phys 126:134108
- (2007) J Chem Phys , vol.126
- Hrenar, T.¹ Werner, H.J.² Rauhut, G.³

163
- 0034656443
- Gauss J, Werner HJ (2000) Phys Chem Chem Phys 2:2083
- (2000) Phys Chem Chem Phys , vol.2 , pp. 2083
- Gauss, J.¹ Werner, H.J.²

164
- 54049096789
- Kaminsky J, Mata RA, Werner HJ, Jensen F (2008) Mol Phys 106:1899
- (2008) Mol Phys , vol.106 , pp. 1899
- Kaminsky, J.¹ Mata, R.A.² Werner, H.J.³ Jensen, F.⁴

165
- 33750993802
- Claeyssens F, Harvey JN, Manby FR, Mata RA, Mulholland AJ, Ranaghan KE, Schütz M, Thiel S, Thiel W, Werner HJ (2006) Angew Chem 118:7010
- (2006) Angew Chem , vol.118 , pp. 7010
- Claeyssens, F.¹ Harvey, J.N.² Manby, F.R.³ Mata, R.A.⁴ Mulholland, A.J.⁵ Ranaghan, K.E.⁶ Schütz, M.⁷ Thiel, S.⁸ Thiel, W.⁹ Werner, H.J.¹⁰

166
- 38349061612
- Mata RA, Werner HJ, Thiel S, Thiel W (2008) J Chem Phys 128:025104
- (2008) J Chem Phys , vol.128
- Mata, R.A.¹ Werner, H.J.² Thiel, S.³ Thiel, W.⁴

167
- 77949881245
- Dieterich JM, Werner HJ, Mata RA, Metz S, Thiel W (2010) J Chem Phys 132:035101
- (2010) J Chem Phys , vol.132
- Dieterich, J.M.¹ Werner, H.J.² Mata, R.A.³ Metz, S.⁴ Thiel, W.⁵

168
- 74849109847
- Harvey JN (2010) Faraday Discuss 145:487
- (2010) Faraday Discuss , vol.145 , pp. 487
- Harvey, J.N.¹

169
- 84890021933
- Bernardi F, Boys SF (1970) Mol Phys 19:553
- (1970) Mol Phys , vol.19 , pp. 553
- Bernardi, F.¹ Boys, S.F.²

170
- 0343698315
- Saebø S, Pulay P (1993) Annu Rev Phys Chem 44:213
- (1993) Annu Rev Phys Chem , vol.44 , pp. 213
- Saebø, S.¹ Pulay, P.²

171
- 0442331866
- Schütz M, Rauhut G, Werner HJ (1998) J Phys Chem A 102:5997
- (1998) J Phys Chem A , vol.102 , pp. 5997
- Schütz, M.¹ Rauhut, G.² Werner, H.J.³

172
- 0040428298
- Hartke B, Schütz M, Werner HJ (1998) J Chem Phys 239:561
- (1998) J Chem Phys , vol.239 , pp. 561
- Hartke, B.¹ Schütz, M.² Werner, H.J.³

173
- 33751020889
- Hill JG, Platts JA, Werner HJ (2006) Phys Chem Chem Phys 8:4072
- (2006) Phys Chem Chem Phys , vol.8 , pp. 4072
- Hill, J.G.¹ Platts, J.A.² Werner, H.J.³

174
- 34250742182
- Hill JG, Platts JA (2007) J Chem Theory Comput 3:80
- (2007) J Chem Theory Comput , vol.3 , pp. 80
- Hill, J.G.¹ Platts, J.A.²

175
- 53449091864
- Hill JG, Platts JA (2008) J Chem Phys 129:134101
- (2008) J Chem Phys , vol.129
- Hill, J.G.¹ Platts, J.A.²

176
- 43449122167
- Hill JG, Platts JA (2008) Phys Chem Chem Phys 10:2785
- (2008) Phys Chem Chem Phys , vol.10 , pp. 2785
- Hill, J.G.¹ Platts, J.A.²

177
- 69949099180
- Hill JG, Platts JA (2009) Chem Phys Lett 479:279
- (2009) Chem Phys Lett , vol.479 , pp. 279
- Hill, J.G.¹ Platts, J.A.²

178
- 35948954685
- Schemmel D, Schütz M (2007) J Chem Phys 127:174304
- (2007) J Chem Phys , vol.127
- Schemmel, D.¹ Schütz, M.²

179
- 0001312393
- Jeziorski B, Moszynski R, Szalewicz K (1994) Chem Rev 94:1887
- (1994) Chem Rev , vol.94 , pp. 1887
- Jeziorski, B.¹ Moszynski, R.² Szalewicz, K.³

180
- 0000458060
- Runeberg N, Schütz M, Werner HJ (1999) J Chem Phys 110:7210
- (1999) J Chem Phys , vol.110 , pp. 7210
- Runeberg, N.¹ Schütz, M.² Werner, H.J.³

181
- 0036199547
- Magnko L, Schweizer M, Rauhut G, Schütz M, Stoll H, Werner HJ (2002) Phys Chem Chem Phys 4:1006
- (2002) Phys Chem Chem Phys , vol.4 , pp. 1006
- Magnko, L.¹ Schweizer, M.² Rauhut, G.³ Schütz, M.⁴ Stoll, H.⁵ Werner, H.J.⁶

182
- 16244412028
- Riedel S, Pyykkø P, Mata RA, Werner HJ (2005) Chem Phys Lett 405:148
- (2005) Chem Phys Lett , vol.405 , pp. 148
- Riedel, S.¹ Pyykkø, P.² Mata, R.A.³ Werner, H.J.⁴

183
- 0038637815
- Langlet J, Caillet J, Berges J, Reinhardt P (2003) J Chem Phys 118:6157
- (2003) J Chem Phys , vol.118 , pp. 6157
- Langlet, J.¹ Caillet, J.² Berges, J.³ Reinhardt, P.⁴

184
- 44949240475
- Grimme S, Mueck-Lichtenfeld C, Antony J (2008) Phys Chem Chem Phys 10:3327
- (2008) Phys Chem Chem Phys , vol.10 , pp. 3327
- Grimme, S.¹ Mueck-Lichtenfeld, C.² Antony, J.³

185
- 0038617502
- Grimme S (2003) J Chem Phys 118:9095
- (2003) J Chem Phys , vol.118 , pp. 9095
- Grimme, S.¹

186
- 77955866131
- Schemmel D, Schütz M (2010) J Chem Phys 132:174303
- (2010) J Chem Phys , vol.132
- Schemmel, D.¹ Schütz, M.²

187
- 85073164784
- to be published
- Adler TB, Werner HJ (2010) to be published
- (2010)
- Adler, T.B.¹ Werner, H.J.²

188
- 40149107023
- Peterson KA, Adler TB, Werner HJ (2008) J Chem Phys 128:084102
- (2008) J Chem Phys , vol.128
- Peterson, K.A.¹ Adler, T.B.² Werner, H.J.³

189
- 60749123439
- Yum J, Hagberg DP, Moon S, Karlsson KM, Marinado T, Sun L, Hagfeldt A, Nazeeruddin MK, Grätzel M (2009) Angew Chem Int Ed 48:1576
- (2009) Angew Chem Int Ed , vol.48 , pp. 1576
- Yum, J.¹ Hagberg, D.P.² Moon, S.³ Karlsson, K.M.⁴ Marinado, T.⁵ Sun, L.⁶ Hagfeldt, A.⁷ Nazeeruddin, M.K.⁸ Grätzel, M.⁹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.