SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 127, Issue 9, 2007, Pages

Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9)

(3) Karamanis, Panaghiotis a,b B́gú, Didier a Pouchan, Claude a

a IFR (France)

b JACKSON STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; STOICHIOMETRY;

CLUSTER SIZE; HYPERPOLARIZABILITY; PSEUDOPOTENTIALS YIELD;

SEMICONDUCTING GALLIUM ARSENIDE;

EID: 34548492217 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2768365 Document Type: Article

Times cited : (46)

References (80)

1
- 35949007293
- W. A. de Heer, Rev. Mod. Phys. 65, 611 (1993).
- (1993) Rev. Mod. Phys. , vol.65 , pp. 611
- De Heer, W.A.¹

2
- 33746908238
- L. A. Pozhar, A. T. Yeates, F. Szmulowicz, and W. C. Mitchel, Phys. Rev. B 74, 085306 (2006).
- (2006) Phys. Rev. B , vol.74 , pp. 085306
- Pozhar, L.A.¹ Yeates, A.T.² Szmulowicz, F.³ Mitchel, W.C.⁴

3
- 0006861207
- Y. Fainman, J. Ma, and S. H. Lee, Mater. Sci. Rep. 9, 53 (1993).
- (1993) Mater. Sci. Rep. , vol.9 , pp. 53
- Fainman, Y.¹ Ma, J.² Lee, S.H.³

4
- 33244469254
- P. Karamanis, G. Maroulis and C. Pouchan, J. Chem. Phys. 124, 07110 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 07110
- Karamanis, P.¹ Maroulis, G.² Pouchan, C.³

5
- 33947411976
- P. Karamanis, G. Maroulis, and C. Pouchan, Chem. Phys. 331, 19 (2006).
- (2006) Chem. Phys. , vol.331 , pp. 19
- Karamanis, P.¹ Maroulis, G.² Pouchan, C.³

6
- 33947320934
- M. Beyer and M. Knickelbein, J. Chem. Phys. 126, 104301 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 104301
- Beyer, M.¹ Knickelbein, M.²

7
- 27144514960
- M. G. Papadopoulos, H. Reis, A. Avramopoulos, S. Erko̧, and L. Amirouche, J. Phys. Chem. B 209, 18822 (2005).
- (2005) J. Phys. Chem. B , vol.209 , pp. 18822
- Papadopoulos, M.G.¹ Reis, H.² Avramopoulos, A.³ Erko̧, S.⁴ Amirouche, L.⁵

8
- 33745625358
- M. G. Papadopoulos, H. Reis, A. Avramopoulos, S. Erko̧, and L. Amirouche, Mol. Phys. 104, 2027 (2006).
- (2006) Mol. Phys. , vol.104 , pp. 2027
- Papadopoulos, M.G.¹ Reis, H.² Avramopoulos, A.³ Erko̧, S.⁴ Amirouche, L.⁵

9
- 4544308124
- C. Pouchan, D. B́gú, and D. Y. Zhang, J. Chem. Phys. 121, 4628 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 4628
- Pouchan, C.¹ B́gú, D.² Zhang, D.Y.³

10
- 33751549681
- S. Sen and S. Chakrabarti, Phys. Rev. B 74, 205435 (2006).
- (2006) Phys. Rev. B , vol.74 , pp. 205435
- Sen, S.¹ Chakrabarti, S.²

11
- 36549092747
- S. C. O'Brien, Y. Liu, Q. Zhang, J. R. Heath, F. K. Tittel, R. F. Curl, and R. E. Smalley, J. Chem. Phys. 84, 4074 (1986).
- (1986) J. Chem. Phys. , vol.84 , pp. 4074
- O'Brien, S.C.¹ Liu, Y.² Zhang, Q.³ Heath, J.R.⁴ Tittel, F.K.⁵ Curl, R.F.⁶ Smalley, R.E.⁷

12
- 0000808515
- S. Schlecht, R. Schäfer, J. Woenckhaus, and J. A. Becker, Chem. Phys. Lett. 247, 315 (1995).
- (1995) Chem. Phys. Lett. , vol.247 , pp. 315
- Schlecht, S.¹ Schäfer, R.² Woenckhaus, J.³ Becker, J.A.⁴

13
- 0037536988
- R. Schäfer, S. Schlecht, and J. Woenckhaus, Phys. Rev. Lett. 76, 471 (1996).
- (1996) Phys. Rev. Lett. , vol.76 , pp. 471
- Schäfer, R.¹ Schlecht, S.² Woenckhaus, J.³

14
- 36049056555
- C. Flytzanis and J. Ducuing, Phys. Rev. 178, 1218 (1969).
- (1969) Phys. Rev. , vol.178 , pp. 1218
- Flytzanis, C.¹ Ducuing, J.²

15
- 0004399550
- M. I. Bell, Phys. Rev. B 6, 516 (1972).
- (1972) Phys. Rev. B , vol.6 , pp. 516
- Bell, M.I.¹

16
- 11744328450
- B. F. Levine, Phys. Rev. B 7, 2600 (1972).
- (1972) Phys. Rev. B , vol.7 , pp. 2600
- Levine, B.F.¹

17
- 0033732112
- P. P. Korambath and S. P. Karna, J. Phys. Chem. A 104, 4801 (2000).
- (2000) J. Phys. Chem. A , vol.104 , pp. 4801
- Korambath, P.P.¹ Karna, S.P.²

18
- 0038067797
- Y. Z. Lan, W. D. Cheng, D. S. Wu, X. D. Li, H. Zhang, and Y. J. Gong, Chem. Phys. Lett. 372, 645 (2003).
- (2003) Chem. Phys. Lett. , vol.372 , pp. 645
- Lan, Y.Z.¹ Cheng, W.D.² Wu, D.S.³ Li, X.D.⁴ Zhang, H.⁵ Gong, Y.J.⁶

19
- 34547554505
- Y. Z. Lan, W. D. Cheng, D. S. Wu, J. Shen, S. P. Huang, H. Zhang, Y. J. Gong, and F.-F. Li, Chem. Phys. 124, 094302 (2006).
- (2006) Chem. Phys. , vol.124 , pp. 094302
- Lan, Y.Z.¹ Cheng, W.D.² Wu, D.S.³ Shen, J.⁴ Huang, S.P.⁵ Zhang, H.⁶ Gong, Y.J.⁷ Li, F.-F.⁸

20
- 34247363253
- G. Maroulis, P. Karamanis, and C. Pouchan, J. Chem. Phys. 126, 154316 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 154316
- Maroulis, G.¹ Karamanis, P.² Pouchan, C.³

21
- 0031162503
- I. Vasiliev, S. Öǧüt, and J. R. Chelikowsky, Phys. Rev. Lett. 78, 4805 (1997).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 4805
- Vasiliev, I.¹ Öǧüt, S.² Chelikowsky, J.R.³

22
- 0036467025
- F. Torrens, Physica E (Amsterdam) 13, 67 (2002).
- (2002) Physica e (Amsterdam) , vol.13 , pp. 67
- Torrens, F.¹

23
- 18444367396
- K. A. Jackson, M. Yang, I. Chaudhuri, and Th. Frauenheim, Phys. Rev. A 71, 033205 (2005).
- (2005) Phys. Rev. A , vol.71 , pp. 033205
- Jackson, K.A.¹ Yang, M.² Chaudhuri, I.³ Frauenheim, Th.⁴

24
- 33745966636
- J. Zhao, R. H. Xie, X. Zhou, X. Chen, and W. Lu, Phys. Rev. B 74, 035319 (2006).
- (2006) Phys. Rev. B , vol.74 , pp. 035319
- Zhao, J.¹ Xie, R.H.² Zhou, X.³ Chen, X.⁴ Lu, W.⁵

25
- 0037123028
- B. Jansik, B. Schimmelpfennig, P. Norman, Y. Mochizuki, Y. Luo, and H. Ågren, J. Phys. Chem. A 106, 395 (2002).
- (2002) J. Phys. Chem. A , vol.106 , pp. 395
- Jansik, B.¹ Schimmelpfennig, B.² Norman, P.³ Mochizuki, Y.⁴ Luo, Y.⁵ Ågren, H.⁶

26
- 33846697272
- N. P. Labello, A. M. Ferreira, and H. Kurtz, J. Phys. Chem. A 110, 13507 (2006).
- (2006) J. Phys. Chem. A , vol.110 , pp. 13507
- Labello, N.P.¹ Ferreira, A.M.² Kurtz, H.³

27
- 0001272307
- T. R. Cundari, H. A. Kurtz, and T. Zhou, J. Phys. Chem. A 102, 2962 (1998).
- (1998) J. Phys. Chem. A , vol.102 , pp. 2962
- Cundari, T.R.¹ Kurtz, H.A.² Zhou, T.³

28
- 34548514019
- P. Karamanis, D. B́gú, and C. Pouchan, Comput. Let. 2, 255 (2006).
- (2006) Comput. Let. , vol.2 , pp. 255
- Karamanis, P.¹ B́gú, D.² Pouchan, C.³

29
- 0000757103
- A. D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).
- (1967) Adv. Chem. Phys. , vol.12 , pp. 107
- Buckingham, A.D.¹

30
- 33845716592
- A. D. McLean and M. Yoshimine, J. Chem. Phys. 47, 1927 (1967).
- (1967) J. Chem. Phys. , vol.47 , pp. 1927
- McLean, A.D.¹ Yoshimine, M.²

31
- 37049169622
- C. A. Coulson, A. Macoll, and L. E. Sutton, Trans. Faraday Soc. 48, 106 (1952).
- (1952) Trans. Faraday Soc. , vol.48 , pp. 106
- Coulson, C.A.¹ MacOll, A.² Sutton, L.E.³

32
- 0007724421
- C. Pouchan and D. M. Bishop, Phys. Rev. A 29, 1 (1984).
- (1984) Phys. Rev. A , vol.29 , pp. 1
- Pouchan, C.¹ Bishop, D.M.²

33
- 84984153757
- H. A. Kurtz, J. J. P. Stewart and K. Dieter, J. Comput. Chem. 11, 82 (1990).
- (1990) J. Comput. Chem. , vol.11 , pp. 82
- Kurtz, H.A.¹ Stewart, J.J.P.² Dieter, K.³

34
- 0001564241
- G. Maroulis, J. Chem. Phys. 108, 5432 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 5432
- Maroulis, G.¹

35
- 0037425881
- G. Maroulis, J. Chem. Phys. 118, 2673 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 2673
- Maroulis, G.¹

36
- 0000499202
- 0021-9606 10.1063/1.479977
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (1999) J. Chem. Phys. , vol.111 , pp. 6846
- Maroulis, G.¹

37
- 0000981619
- 0021-9606 10.1063/1.479339
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (1999) J. Chem. Phys. , vol.111 , pp. 583
- Maroulis, G.¹

38
- 4243334034
- 1050-2947 10.1103/PhysRevA.57.2440
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (1998) Phys. Rev. A , vol.57 , pp. 2440
- Maroulis, G.¹

39
- 0142135350
- 1089-5647 10.1021/jp027082t
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (2003) J. Phys. Chem. B , vol.107 , pp. 10683
- Maroulis, G.¹ Pouchan, C.²

40
- 0038353899
- 0301-0104 10.1016/S0301-0104(03)00186-1
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (2003) Chem. Phys. , vol.291 , pp. 81
- Maroulis, G.¹

41
- 0000818924
- 1089-5639 10.1021/jp9911200
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (1999) J. Phys. Chem. A , vol.103 , pp. 4590
- Maroulis, G.¹ Xenides, D.²

42
- 0038629290
- 1463-9076 10.1039/b301441j
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 1992
- Maroulis, G.¹ Pouchan, C.²

43
- 0042769181
- G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479977 111, 6846 (1999); G. Maroulis, J. Chem. Phys. 0021-9606 10.1063/1.479339 111, 583 (1999); G. Maroulis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.57.2440 57, 2440 (1998); G. Maroulis and C. Pouchan, J. Phys. Chem. B 1089-5647 10.1021/jp027082t 107, 10683 (2003); G. Maroulis, Chem. Phys. 0301-0104 10.1016/S0301-0104(03)00186-1 291, 81 (2003); G. Maroulis and D. Xenides, J. Phys. Chem. A 1089-5639 10.1021/jp9911200 103, 4590 (1999); G. Maroulis, and C. Pouchan, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b301441j 5, 1992 (2003); G. Maroulis, D. Begú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 794
- Maroulis, G.¹ Begú, D.² Pouchan, C.³

44
- 33745304786
- 0166-1280
- D. Xenides, J. Mol. Struct.: THEOCHEM 0166-1280 764, 41 (2006); D. Xenides, J. Mol. Struct.: THEOCHEM 804, 41 (2007).
- (2006) J. Mol. Struct.: THEOCHEM , vol.764 , pp. 41
- Xenides, D.¹

45
- 33846602717
- D. Xenides, J. Mol. Struct.: THEOCHEM 0166-1280 764, 41 (2006); D. Xenides, J. Mol. Struct.: THEOCHEM 804, 41 (2007).
- (2007) J. Mol. Struct.: THEOCHEM , vol.804 , pp. 41
- Xenides, D.¹

46
- 34548513583
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, Gaussian 98, Revision A.11.3, Gaussian, Inc., Pittsburgh, PA, 2002.
- (2002)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

47
- 0032058110
- P. Piquini, S. Canuto, and A. Fazzio, Nanostruct. Mater. 10, 635 (1998).
- (1998) Nanostruct. Mater. , vol.10 , pp. 635
- Piquini, P.¹ Canuto, S.² Fazzio, A.³

48
- 0001060643
- D. W. Liao and K. Balasubramanian, J. Chem. Phys. 96, 8938 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 8938
- Liao, D.W.¹ Balasubramanian, K.²

49
- 0035128030
- M. C. Troparevsky and J. R. Chelikowsky, J. Chem. Phys. 114, 943 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 943
- Troparevsky, M.C.¹ Chelikowsky, J.R.²

50
- 0002417697
- M. A. Al-Laham and K. Raghavachari, Chem. Phys. Lett. 187, 13 (1991).
- (1991) Chem. Phys. Lett. , vol.187 , pp. 13
- Al-Laham, M.A.¹ Raghavachari, K.²

51
- 36448999681
- L. Lou, P. Nordlander, and R. E. Smalley, J. Chem. Phys. 97, 1858 (1992).
- (1992) J. Chem. Phys. , vol.97 , pp. 1858
- Lou, L.¹ Nordlander, P.² Smalley, R.E.³

52
- 0037187092
- A. Costales, A. Kandalam, R. Franco, and R. Pandey, J. Phys. Chem. B 106, 1940 (2002).
- (2002) J. Phys. Chem. B , vol.106 , pp. 1940
- Costales, A.¹ Kandalam, A.² Franco, R.³ Pandey, R.⁴

53
- 4243457569
- M. A. Al-Laham and K. Raghavachari, J. Chem. Phys. 98, 8770 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 8770
- Al-Laham, M.A.¹ Raghavachari, K.²

54
- 36449009255
- R. M. Graves and G. E. Scuseria, J. Chem. Phys. 95, 6602 (1991).
- (1991) J. Chem. Phys. , vol.95 , pp. 6602
- Graves, R.M.¹ Scuseria, G.E.²

55
- 33748620290
- A. C. Pineda and S. P. Karna, Chem. Phys. Lett. 429, 169 (2006).
- (2006) Chem. Phys. Lett. , vol.429 , pp. 169
- Pineda, A.C.¹ Karna, S.P.²

56
- 0347151609
- K. A. Peterson, J. Chem. Phys. 119, 11099 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 11099
- Peterson, K.A.¹

57
- 0030530528
- T. R. Cundari and M. S. Gordon, Coord. Chem. Rev. 147, 87 (1996).
- (1996) Coord. Chem. Rev. , vol.147 , pp. 87
- Cundari, T.R.¹ Gordon, M.S.²

58
- 36449002088
- P. Schwerdtfeger, T. Fischer, M. Dolg, G. I. Mann, A. Nicklass, H. Stoll, and A. Haaland, J. Chem. Phys. 102, 2050 (1995).
- (1995) J. Chem. Phys. , vol.102 , pp. 2050
- Schwerdtfeger, P.¹ Fischer, T.² Dolg, M.³ Mann, G.I.⁴ Nicklass, A.⁵ Stoll, H.⁶ Haaland, A.⁷

59
- 0001218546
- T. Leininger, A. Nicklass, H. Stoll, M. Dolg, and P. Schwerdtfeger, J. Chem. Phys. 105, 1052 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 1052
- Leininger, T.¹ Nicklass, A.² Stoll, H.³ Dolg, M.⁴ Schwerdtfeger, P.⁵

60
- 0034670814
- W. Zhao, P. L. Cao, B. X. Li, and B. Song, Phys. Rev. B 62, 17138 (2000).
- (2000) Phys. Rev. B , vol.62 , pp. 17138
- Zhao, W.¹ Cao, P.L.² Li, B.X.³ Song, B.⁴

61
- 29544439270
- W. Zhao and P. L. Cao, Phys. Lett. A 349, 224 (2006).
- (2006) Phys. Lett. A , vol.349 , pp. 224
- Zhao, W.¹ Cao, P.L.²

62
- 0001485863
- J. Y. Yi, Chem. Phys. Lett. 325, 269 (2000).
- (2000) Chem. Phys. Lett. , vol.325 , pp. 269
- Yi, J.Y.¹

63
- 34548481337
- P. Karamanis, C. Pouchan, and G. Maroulis (unpublished).
- Karamanis, P.¹ Pouchan, C.² Maroulis, G.³

64
- 0000156462
- V. Andreoni, Phys. Rev. B 45, 4203 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 4203
- Andreoni, V.¹

65
- 0037074398
- W. Zhao and P. L. Cao, J. Phys.: Condens. Matter 14, 33 (2002).
- (2002) J. Phys.: Condens. Matter , vol.14 , pp. 33
- Zhao, W.¹ Cao, P.L.²

66
- 34247343730
- G. L. Gutsev, M. D. Mochena, and C. W. Bauschlicher, Jr., Chem. Phys. Lett. 439, 95 (2007).
- (2007) Chem. Phys. Lett. , vol.439 , pp. 95
- Gutsev, G.L.¹ Mochena, M.D.² Bauschlicher Jr. C., W.³

67
- 0005499356
- W. Zhao and P. L. Cao, Phys. Lett. A 288, 53 (2001).
- (2001) Phys. Lett. A , vol.288 , pp. 53
- Zhao, W.¹ Cao, P.L.²

68
- 29544439270
- W. Zhao, P. L. Cao, and W. Duan, Phys. Lett. A 349, 224 (2006).
- (2006) Phys. Lett. A , vol.349 , pp. 224
- Zhao, W.¹ Cao, P.L.² Duan, W.³

69
- 0035504362
- G. Maroulis, D. Xenides, U. Hohm, and A. Loose, J. Chem. Phys. 115, 7957 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 7957
- Maroulis, G.¹ Xenides, D.² Hohm, U.³ Loose, A.⁴

70
- 34548478374
- N. P. Labello, A. M. Ferreira, and H. Kurtz, J. Comput. Chem. 26, 1465 (2005).
- (2005) J. Comput. Chem. , vol.26 , pp. 1465
- Labello, N.P.¹ Ferreira, A.M.² Kurtz, H.³

71
- 33750923678
- N. P. Labello, A. M. Ferreira, and H. Kurtz, Int. J. Quantum Chem. 106, 3140 (2006).
- (2006) Int. J. Quantum Chem. , vol.106 , pp. 3140
- Labello, N.P.¹ Ferreira, A.M.² Kurtz, H.³

72
- 0035249797
- J. M. L. Martin and A. Sunderman, J. Chem. Phys. 114, 3408 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 3408
- Martin, J.M.L.¹ Sunderman, A.²

73
- 0141509423
- A. D. McLean and G. S. Chandler, J. Chem. Phys. 72, 5639 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 5639
- McLean, A.D.¹ Chandler, G.S.²

74
- 26844534384
- R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

75
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr. T., H.¹

76
- 7044231584
- D. Y. Zhang, D. B́gú, and C. Pouchan, Chem. Phys. Lett. 398, 283 (2004).
- (2004) Chem. Phys. Lett. , vol.398 , pp. 283
- Zhang, D.Y.¹ B́gú, D.² Pouchan, C.³

77
- 0041953245
- R. Schäfer and J. A. Becker, Phys. Rev. B 54, 10296 (1996).
- (1996) Phys. Rev. B , vol.54 , pp. 10296
- Schäfer, R.¹ Becker, J.A.²

78
- 0042883738
- M. Schnell, C. Herwig, and A. Becker, Z. Phys. Chem. 217, 1003 (2003).
- (2003) Z. Phys. Chem. , vol.217 , pp. 1003
- Schnell, M.¹ Herwig, C.² Becker, A.³

79
- 34548508231
- K. R. S. Chandrakumar, T. K. Chanty, and S. K. Ghosh, J. Phys. Chem. 120, 5487 (2004).
- (2004) J. Phys. Chem. , vol.120 , pp. 5487
- Chandrakumar, K.R.S.¹ Chanty, T.K.² Ghosh, S.K.³

80
- 33845645386
- P. Karamanis, D. Y. Zhang-Negrerie, and C. Pouchan, Chem. Phys. 331, 417 (2007).
- (2007) Chem. Phys. , vol.331 , pp. 417
- Karamanis, P.¹ Zhang-Negrerie, D.Y.² Pouchan, C.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.