SCOPUS 정보 검색 플랫폼

Volumn 129, Issue 13, 2008, Pages

Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: Convergence studies

(3) Banik, Subrata a Pal, Sourav a Prasad, M Durga b

a NATIONAL CHEMICAL LABORATORY (India)

b UNIVERSITY OF HYDERABAD (India)

Author keywords

[No Author keywords available]

Indexed keywords

FORMALDEHYDE; MATHEMATICAL OPERATORS; MOLECULES;

CLUSTER OPERATORS; COUPLED CLUSTERS; LINEAR-RESPONSE THEORY; VIBRATIONAL COUPLED-CLUSTER; VIBRATIONAL ENERGIES; VIBRATIONAL EXCITED STATES; WATER MOLECULES;

PROBABILITY DENSITY FUNCTION;

EID: 53449102405 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2982502 Document Type: Article

Times cited : (63)

References (45)

1
- 0001319617
- ADCPAA 0065-2385 10.1002/9780470142561.ch6.
- D. C. Carney, L. L. Sprandel, and C. W. Kern, Adv. Chem. Phys. ADCPAA 0065-2385 10.1002/9780470142561.ch6 37, 305 (1978).
- (1978) Adv. Chem. Phys. , vol.37 , pp. 305
- Carney, D.C.¹ Sprandel, L.L.² Kern, C.W.³

2
- 36749105013
- JCPSA6 0021-9606 10.1063/1.435782, ();, Acc. Chem. Res. ACHRE4 0001-4842 10.1021/ar00127a002 19, 202 (1986).
- J. M. Bowman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.435782 68, 608 (1978); J. M. Bowman, Acc. Chem. Res. ACHRE4 0001-4842 10.1021/ar00127a002 19, 202 (1986).
- (1978) J. Chem. Phys. , vol.68 , pp. 608
- Bowman, J.M.¹ Bowman, J.M.²

3
- 0000563639
- CHPLBC 0009-2614 10.1016/0009-2614(82)80335-7.
- K. M. Christoffel and J. M. Bowman, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(82)80335-7 85, 220 (1982).
- (1982) Chem. Phys. Lett. , vol.85 , pp. 220
- Christoffel, K.M.¹ Bowman, J.M.²

4
- 0000690504
- 0066-426X;, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463530 97, 7031 (1992).
- Z. Bacic and J. C. Light, Annu. Rev. Phys. Chem. 40, 469 (1989) 0066-426X; S. E. Choi and J. C. Light, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463530 97, 7031 (1992).
- (1989) Annu. Rev. Phys. Chem. , vol.40 , pp. 469
- Bacic, Z.¹ Light, J.C.² Choi, S.E.³ Light, J.C.⁴

5
- 46149127934
- CPHREF 0167-7977 10.1016/0167-7977(86)90006-7, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459229 93, 8902 (1990).
- S. Carter and N. C. Handy, Comput. Phys. Rep. CPHREF 0167-7977 10.1016/0167-7977(86)90006-7 5, 117 (1986); S. Carter and W. Meyer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459229 93, 8902 (1990).
- (1986) Comput. Phys. Rep. , vol.5 , pp. 117
- Carter, S.¹ Handy, N.C.² Carter, S.³ Meyer, W.⁴

6
- 0007319619
- CPHREF 0167-7977 10.1016/0167-7977(86)90005-5, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462045 96, 2426 (1992).
- J. Tennyson, Comput. Phys. Rep. CPHREF 0167-7977 10.1016/0167-7977(86) 90005-5 4, 1 (1986); J. R. Henderson, J. Tennyson, and B. T. Sutcliffe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462045 96, 2426 (1992).
- (1986) Comput. Phys. Rep. , vol.4 , pp. 1
- Tennyson, J.¹ Henderson, J.R.² Tennyson, J.³ Sutcliffe, B.T.⁴

7
- 0001608843
- CHPLBC 0009-2614 10.1016/0009-2614(93)90031-U, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463044 97, 3029 (1992).
- A. McNichols and T. Carrington, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)90031-U 202, 464 (1993); H. Wei and T. Carrington, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463044 97, 3029 (1992).
- (1993) Chem. Phys. Lett. , vol.202 , pp. 464
- McNichols, A.¹ Carrington, T.² Wei, H.³ Carrington, T.⁴

8
- 0030393223
- JCPSA6 0021-9606 10.1063/1.472960, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479452 111, 1823 (1999).
- J. O. Jung and R. B. Gerber, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472960 105, 10332 (1996); G. Chaban, J. O. Jung, and R. B. Gerber, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479452 111, 1823 (1999).
- (1996) J. Chem. Phys. , vol.105 , pp. 10332
- Jung, J.O.¹ Gerber, R.B.² Chaban, G.³ Jung, J.O.⁴ Gerber, R.B.⁵

9
- 0001605122
- JCPSA6 0021-9606 10.1063/1.472922.
- L. S. Norris, M. A. Ratner, A. E. Roitberg, and R. B. Gerber, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472922 105, 11261 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 11261
- Norris, L.S.¹ Ratner, M.A.² Roitberg, A.E.³ Gerber, R.B.⁴

10
- 0142055992
- JCPSA6 0021-9606 10.1063/1.1601593.
- O. Christiansen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1601593 119, 5773 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 5773
- Christiansen, O.¹

11
- 36549097682
- JCPSA6 0021-9606 10.1063/1.453797.
- E. L. Sibert, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.453797 88, 4378 (1988).
- (1988) J. Chem. Phys. , vol.88 , pp. 4378
- Sibert, E.L.¹

12
- 0001354321
- JCPSA6 0021-9606 10.1063/1.460850, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458071 92, 1893 (1990).
- A. B. McCoy and E. L. Sibert, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460850 95, 3476 (1991); A. B. McCoy and E. L. Sibert, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458071 92, 1893 (1990).
- (1991) J. Chem. Phys. , vol.95 , pp. 3476
- McCoy, A.B.¹ Sibert, E.L.² McCoy, A.B.³ Sibert, E.L.⁴

13
- 36849099976
- JCPSA6 0021-9606 10.1063/1.1727484, ();, Adv. Chem. Phys. ADCPAA 0065-2385 10.1002/9780470143599.ch2 14, 35 (1969).
- J. Cizek, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1727484 45, 4256 (1966); J. Cizek, Adv. Chem. Phys. ADCPAA 0065-2385 10.1002/9780470143599.ch2 14, 35 (1969).
- (1966) J. Chem. Phys. , vol.45 , pp. 4256
- Cizek, J.¹ Cizek, J.²

14
- 0001626413
- ARPLAP 0066-426X 10.1146/annurev.pc.32.100181.002043, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1021/j100342a008 93, 1697 (1989).
- R. J. Bartlett, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 10.1146/annurev.pc.32.100181.002043 32, 359 (1981); R. J. Bartlett, J. Chem. Phys. JCPSA6 0021-9606 10.1021/j100342a008 93, 1697 (1989).
- (1981) Annu. Rev. Phys. Chem. , vol.32 , pp. 359
- Bartlett, R.J.¹ Bartlett, R.J.²

15
- 4244037307
- CHPLBC 0009-2614 10.1016/0009-2614(95)00631-D.
- G. Sree Latha and M. D. Prasad, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)00631-D 241, 215 (1995).
- (1995) Chem. Phys. Lett. , vol.241 , pp. 215
- Latha, G.S.¹ Prasad, M.D.²

16
- 1442331124
- JCPSA6 0021-9606 10.1063/1.1637579.
- O. Christiansen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1637579 120, 2149 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 2149
- Christiansen, O.¹

17
- 1442306230
- JCPSA6 0021-9606 10.1063/1.1637578.
- O. Christiansen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1637578 120, 2140 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 2140
- Christiansen, O.¹

18
- 21444433510
- JCPSA6 0021-9606 10.1063/1.1899156.
- O. Christiansen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1899156 122, 194105 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 194105
- Christiansen, O.¹

19
- 34249903074
- JCPSA6 0021-9606 10.1063/1.2734970.
- P. Seidler and O. Christiansen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2734970 126, 204101 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 204101
- Seidler, P.¹ Christiansen, O.²

20
- 33748338364
- TCACFW 1432-881X 10.1007/s00214-005-0037-5.
- O. Christiansen, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-005- 0037-5 116, 106 (2006).
- (2006) Theor. Chem. Acc. , vol.116 , pp. 106
- Christiansen, O.¹

21
- 34250010920
- PPCPFQ 1463-9076 10.1039/b618764a.
- O. Christiansen, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b618764a 9, 2942 (2007).
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 2942
- Christiansen, O.¹

22
- 0001178433
- PRVDAQ 0556-2821 10.1103/PhysRevD.29.643.
- C. S. Hsue and J. L. Chern, Phys. Rev. D PRVDAQ 0556-2821 10.1103/PhysRevD.29.643 29, 643 (1984).
- (1984) Phys. Rev. D , vol.29 , pp. 643
- Hsue, C.S.¹ Chern, J.L.²

23
- 0007313156
- PRVDAQ 0556-2821 10.1103/PhysRevD.33.3658.
- U. B. Kaulfuss and M. Altenbokum, Phys. Rev. D PRVDAQ 0556-2821 10.1103/PhysRevD.33.3658 33, 3658 (1986).
- (1986) Phys. Rev. D , vol.33 , pp. 3658
- Kaulfuss, U.B.¹ Altenbokum, M.²

24
- 0000425912
- PLRAAN 1050-2947 10.1103/PhysRevA.38.2211.
- R. F. Bishop and M. F. Flynn, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.2211 38, 2211 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 2211
- Bishop, R.F.¹ Flynn, M.F.²

25
- 0001731219
- PLRAAN 1050-2947 10.1103/PhysRevA.40.3484, ();, Phys. Lett. A PYLAAG 0375-9601 10.1016/0375-9601(88)90509-9 132, 420 (1988).
- R. F. Bishop, M. C. Bosca, and M. F. Flynn, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.40.3484 40, 3484 (1989); R. F. Bishop, M. C. Bosca, and M. F. Flynn, Phys. Lett. A PYLAAG 0375-9601 10.1016/0375-9601(88)90509-9 132, 420 (1988).
- (1989) Phys. Rev. A , vol.40 , pp. 3484
- Bishop, R.F.¹ Bosca, M.C.² Flynn, M.F.³ Bishop, R.F.⁴ Bosca, M.C.⁵ Flynn, M.F.⁶

26
- 0007313155
- CHPLBC 0009-2614 10.1016/0009-2614(93)E1380-Y.
- V. Nagalakshmi, V. Laksminarayana, G. Sumithra, and M. D. Prasad, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)E1380-Y 217, 279 (1994).
- (1994) Chem. Phys. Lett. , vol.217 , pp. 279
- Nagalakshmi, V.¹ Laksminarayana, V.² Sumithra, G.³ Prasad, M.D.⁴

27
- 0033749688
- 0019-5103
- M. D. Prasad, Indian Journal of Chemistry 39A, 196 (2000). 0019-5103
- (2000) Indian Journal of Chemistry , vol.39 , pp. 196
- Prasad, M.D.¹

28
- 0000347138
- AQCHA9 0065-3276 10.1016/S0065-3276(08)60629-2, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.453795 88, 4357 (1988);, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)01331-1 300, 125 (1999).
- D. Mukherjee and S. Pal, Adv. Quantum Chem. AQCHA9 0065-3276 10.1016/S0065-3276(08)60629-2 20, 291 (1989); S. Pal, M. Rittby, R. J. Bartlett, D. Sinha, and D. Mukherjee, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.453795 88, 4357 (1988); N. Vaval and S. Pal, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)01331-1 300, 125 (1999).
- (1989) Adv. Quantum Chem. , vol.20 , pp. 291
- Mukherjee, D.¹ Pal, S.² Pal, S.³ Rittby, M.⁴ Bartlett, R.J.⁵ Sinha, D.⁶ Mukherjee, D.⁷ Vaval, N.⁸ Pal, S.⁹

29
- 0002991028
- PRPLCM 0370-1573 10.1016/0370-1573(87)90073-1.
- I. Lindgren and D. Mukherjee, Phys. Rep. PRPLCM 0370-1573 10.1016/0370-1573(87)90073-1 151, 93 (1987).
- (1987) Phys. Rep. , vol.151 , pp. 93
- Lindgren, I.¹ Mukherjee, D.²

30
- 35949018809
- PLRAAN 1050-2947 10.1103/PhysRevA.24.1668.
- B. Jeziorski and H. J. Monkhorst, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.24.1668 24, 1668 (1981).
- (1981) Phys. Rev. A , vol.24 , pp. 1668
- Jeziorski, B.¹ Monkhorst, H.J.²

31
- 84987142183
- 0004-2056
- H. J. Monkhorst, Int. J. Quantum Chem. 11, 421 (1977). 0004-2056
- (1977) Int. J. Quantum Chem. , vol.11 , pp. 421
- Monkhorst, H.J.¹

32
- 0000198328
- CMPHC2 0301-0104 10.1016/0301-0104(79)80153-6.
- D. Mukherjee and P. K. Mukherjee, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(79)80153-6 39, 325 (1979).
- (1979) Chem. Phys. , vol.39 , pp. 325
- Mukherjee, D.¹ Mukherjee, P.K.²

33
- 26144450008
- CHPLBC 0009-2614 10.1016/0009-2614(93)89023-B.
- D. C. Comeau and R. J. Bartlett, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)89023-B 207, 414 (1993).
- (1993) Chem. Phys. Lett. , vol.207 , pp. 414
- Comeau, D.C.¹ Bartlett, R.J.²

34
- 0003121808
- NUPABL 0375-9474 10.1016/0375-9474(81)90179-2.
- K. Emrich, Nucl. Phys. A NUPABL 0375-9474 10.1016/0375-9474(81)90179-2 351, 379 (1981).
- (1981) Nucl. Phys. A , vol.351 , pp. 379
- Emrich, K.¹

35
- 0040143679
- TCHAAM 0040-5744 10.1007/BF01113949.
- G. S. Latha and M. D. Prasad, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF01113949 86, 511 (1993).
- (1993) Theor. Chim. Acta , vol.86 , pp. 511
- Latha, G.S.¹ Prasad, M.D.²

36
- 0001334147
- APNYA6 0003-4916 10.1016/0003-4916(83)90284-1, ();, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.36.2519 36, 2519 (1987);, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.36.2539 36, 2539 (1986).
- J. Arponen, Ann. Phys. (N.Y.) APNYA6 0003-4916 10.1016/0003-4916(83) 90284-1 151, 311 (1983); J. Arponen, R. F. Bishop, and E. Pajanne, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.36.2519 36, 2519 (1987); J. Arponen, R. F. Bishop, and E. Pajanne, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.36.2539 36, 2539 (1986).
- (1983) Ann. Phys. (N.Y.) , vol.151 , pp. 311
- Arponen, J.¹ Arponen, J.² Bishop, R.F.³ Pajanne, E.⁴ Arponen, J.⁵ Bishop, R.F.⁶ Pajanne, E.⁷

37
- 0000307364
- JCPSA6 0021-9606 10.1063/1.467413, ();, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00957-9 295, 189 (1998).
- N. Vaval, K. B. Ghose, and S. Pal, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.467413 101, 4914 (1994); A. Basu Kumar, N. Vaval, and S. Pal, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00957-9 295, 189 (1998).
- (1994) J. Chem. Phys. , vol.101 , pp. 4914
- Vaval, N.¹ Ghose, K.B.² Pal, S.³ Kumar, A.B.⁴ Vaval, N.⁵ Pal, S.⁶

38
- 84945599356
- MOPHAM 0026-8976 10.1080/00268976800101381.
- J. K. Watson, Mol. Phys. MOPHAM 0026-8976 10.1080/00268976800101381 15, 479 (1968).
- (1968) Mol. Phys. , vol.15 , pp. 479
- Watson, J.K.¹

39
- 36549092509
- JCPSA6 0021-9606 10.1063/1.448858.
- H. Romanowski, J. M. Bowman, and L. B. Harding, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.448858 82, 4155 (1985).
- (1985) J. Chem. Phys. , vol.82 , pp. 4155
- Romanowski, H.¹ Bowman, J.M.² Harding, L.B.³

40
- 0041361474
- JCPSA6 0021-9606 10.1063/1.455965.
- E. L. Sibert, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455965 90, 2672 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 2672
- Sibert, E.L.¹

41
- 0001215898
- JCPSA6 0021-9606 10.1063/1.460698.
- M. Aoyagi and S. K. Gray, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460698 94, 195 (1991).
- (1991) J. Chem. Phys. , vol.94 , pp. 195
- Aoyagi, M.¹ Gray, S.K.²

42
- 0008964930
- JMOSA3 0022-2852 10.1006/jms1993.1161.
- J. M. L. Martin, T. J. Lee, and P. R. Taylor, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1006/jmsp.1993.1161 160, 105 (1993).
- (1993) J. Mol. Spectrosc. , vol.160 , pp. 105
- Martin, J.M.L.¹ Lee, T.J.² Taylor, P.R.³

43
- 0001128196
- CHPLBC 0009-2614 10.1016/0009-2614(95)00619-F.
- S. Carter, N. Pinnavaia, and N. C. Handy, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)00619-F 240, 400 (1995).
- (1995) Chem. Phys. Lett. , vol.240 , pp. 400
- Carter, S.¹ Pinnavaia, N.² Handy, N.C.³

44
- 0001560070
- JCPSA6 0021-9606 10.1063/1.471531.
- D. C. Burleigh, A. B. McCoy, and E. L. Sibert, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471531 104, 480 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 480
- Burleigh, D.C.¹ McCoy, A.B.² Sibert, E.L.³

45
- 33749420348
- MOPHAM 0026-8976 10.1080/00268977200102361.
- A. R. Hoy, I. M. Mills, and G. Strey, Mol. Phys. MOPHAM 0026-8976 10.1080/00268977200102361 24, 1265 (1972).
- (1972) Mol. Phys. , vol.24 , pp. 1265
- Hoy, A.R.¹ Mills, I.M.² Strey, G.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.