SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 117, Issue 5, 2002, Pages 1956-1961

Estimating electron correlation energies of A2 from A- and A+ ionic units with a simple scaling approach

(4) Zhuo, Shuping a,b Wei, Jichong a,b Ju, Guanzhi a,b Wei, Zhaorong c

a NANJING UNIVERSITY (China)

b SHANDONG UNIVERSITY (China)

c NANJING UNIVERSITY (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; CORRELATION METHODS; ELECTRONS; ESTIMATION; FLUORINE; FREE RADICALS; FUNCTIONS; IONS; MOLECULES; OXYGEN; SET THEORY;

ELECTRON CORRELATION ENERGIES; ELECTRON PAIR CORRELATION DISTRIBUTION; IONIC PARTITIONING; ISOELECTRONIC COVALENT SYSTEMS; MOLECULAR ORBITALS; SIMPLE SCALING APPROACH; SOFTWARE PACKAGE GAUSSIAN 98;

ELECTRON ENERGY LEVELS;

EID: 0036677657 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1490341 Document Type: Article

Times cited : (8)

References (28)

1
- 0003895515
- (Springer, New York)
- (1983) Molecular Quantum Mechanics, 2nd Ed.
- Atkins, P.W.¹

2
- 0003468774
- (Springer, New York)
- (1982) Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory
- Szabo, A.¹ Ostlund, N.S.²

3
- 6944251055
- (1934) Phys. Rev. , vol.46 , pp. 618
- Moller, C.¹ Plesset, M.S.²

4
- 0005541831
- (1969) Adv. Chem. Phys. , vol.14 , pp. 35
- Cizzeia, J.¹

5
- 0000965806
- (1959) Adv. Chem. Phys. , vol.2 , pp. 207
- Lowdin, P.O.¹

6
- 0001461788
- (1995) Chem. Phys. Lett. , vol.247 , pp. 101
- Kristyan, S.¹

7
- 0031323513
- (1997) Chem. Phys. , vol.224 , pp. 33
- Kristyan, S.¹

8
- 0001733158
- (1999) Chem. Phys. Lett. , vol.307 , pp. 469
- Kristyan, S.¹ Csonka, G.I.²

9
- 0000823440
- (2001) J. Comput. Chem. , vol.22 , pp. 241
- Kristyan, S.¹ Csonka, G.I.²

10
- 0035868924
- (2001) J. Phys. Chem. A , vol.105 , pp. 1926
- Kristyan, S.¹ Ruzsinszky, A.² Csonka, G.I.³

11
- 0041401966
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trunck, G.W.³ Pople, J.A.⁴

12
- 0012154673
- (1998) J. Chem. Phys. , vol.109 , pp. 7764
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

13
- 0000109748
- (1997) J. Chem. Phys. , vol.106 , pp. 1063
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

14
- 22244474611
- (1998) J. Chem. Phys. , vol.109 , pp. 42
- Curtiss, L.A.¹ Redfern, P.C.² Rassolov, V.³ Raghavachari, K.⁴ Pople, J.A.⁵

15
- 0005599680
- E. R. Davidson (private communication)

16
- 84987142168
- (1995) Int. J. Quantum Chem. , vol.54 , pp. 299
- Ju, G.Z.¹ Macheado, F.B.C.² Davidson, E.R.³

17
- 0000590447
- (1997) Phys. Rev. A , vol.55 , pp. 2640
- Ju, G.Z.¹ Ju, N.²

18
- 0001228388
- (1997) J. Mol. Struct.: THEOCHEM , vol.397 , pp. 103
- Ju, G.Z.¹ Ju, N.²

19
- 0035979133
- (2001) J. Phys. Chem. A , vol.105 , pp. 5255
- Zhuo, S.P.¹ Wei, J.C.² Ju, G.Z.³

20
- 0035811947
- (2001) Int. J. Quantum Chem. , vol.83 , pp. 311
- Zhuo, S.P.¹ Wei, J.C.² Shen, C.S.³ Ju, G.Z.⁴

21
- 0001363520
- (2001) Science in China (B) , vol.44 , pp. 328
- Wei, J.C.¹ Zhuo, S.P.² Ju, G.Z.³

22
- 0035829662
- (2001) J. Chem. Phys. , vol.115 , pp. 8298
- Zhuo, S.P.¹ Wei, J.C.² Ju, G.Z.³

23
- 0005618780
- (1991) Chem. Phys. Lett. , vol.187 , pp. 454
- Murray, C.¹ Davidson, E.R.²

24
- 84990648075
- (1992) Int. J. Quantum Chem. , vol.43 , pp. 755
- Murray, C.¹ Davidson, E.R.²

25
- 0005580142
- note
- McMurchie, L.E.¹ Elbert, S.T.² Langhoff, S.R.³ Davidson, E.R.⁴

26
- 0005639510
- (1964) Adv. Chem. Phys. , vol.315 , pp. 6
- Sinanoglu, O.¹

27
- 0004133516
- Gaussian, Inc. Pittsburgh, PA
- (1998) Gaussian 98, Revision A.7
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

28
- 0000664876
- (1990) J. Chem. Phys. , vol.93 , pp. 2537
- Curtiss, L.A.¹ Jones, C.² Trunck, G.W.³ Raghavachari, K.⁴ Pople, J.A.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.