SCOPUS 정보 검색 플랫폼

Volumn 19, Issue 16, 1998, Pages 1887-1898

Self-consistent field calculations using two-body density functional for correlation energy component: I. Atomic systems

(2) Moscardo F a Pérez Jiménez, Angel J a

a UNIVERSITY OF ALICANTE (Spain)

Author keywords

Electron affinities; Hartree Fock exchange plus correlation functionals SCF calculations; Ionization potentials; Polarizabilities; Two body density

Indexed keywords

EID: 0009680192 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/(sici)1096-987x(199812)19:16<1887::aid-jcc9>3.3.co;2-d Document Type: Article

Times cited : (7)

References (46)

1
- 0001716781
- F. Moscardó and A. J. Pérez-Jiménez, Int. J. Quantum Chem., 61, 313 (1997).
- (1997) Int. J. Quantum Chem. , vol.61 , pp. 313
- Moscardó, F.¹ Pérez-Jiménez, A.J.²

2
- 0001639854
- R. W. F. Bader and A. K. Chandra, Can. J. Chem., 46, 953 (1968).
- (1968) Can. J. Chem. , vol.46 , pp. 953
- Bader, R.W.F.¹ Chandra, A.K.²

3
- 0000992156
- R. Colle and O. Salvetti, Theor. Chim. Acta, 37, 329 (1975).
- (1975) Theor. Chim. Acta , vol.37 , pp. 329
- Colle, R.¹ Salvetti, O.²

4
- 0002522713
- R. Colle and O. Salvetti, Theor. Chim. Acta. 53, 55 (1979).
- (1979) Theor. Chim. Acta. , vol.53 , pp. 55
- Colle, R.¹ Salvetti, O.²

5
- 0042113153
- W. Kohn and L. J. Sham, Phys. Rev. A, 140, 1133 (1965).
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

6
- 0003508707
- R. McWeeny and G. Diercksen, J. Chem. Phys., 49, 4852 (1968).
- (1968) J. Chem. Phys. , vol.49 , pp. 4852
- McWeeny, R.¹ Diercksen, G.²

7
- 0000216001
- S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, 1200 (1980).
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

8
- 0345491105
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37, 785 (1988).
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

9
- 4243553426
- A. D. Becke, Phys. Rev. A, 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

10
- 0042106817
- P. O. Widmark, P. Malmqvist, and B. Roos, Theor. Chim. Acta, 77, 291 (1990).
- (1990) Theor. Chim. Acta , vol.77 , pp. 291
- Widmark, P.O.¹ Malmqvist, P.² Roos, B.³

11
- 0009718858
- B. Roos, P. O. Widmark, and B. J. Persson, Theor. Chim. Acta, 79, 419 (1991).
- (1991) Theor. Chim. Acta , vol.79 , pp. 419
- Roos, B.¹ Widmark, P.O.² Persson, B.J.³

12
- 0004133516
- M. Frisch, J. Foresman, and A. Frisch, Eds., Gaussian, Pittsburgh, PA
- M. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. W. Wong, J. B. Foresman, M. A. Robb, M. Head-Gordon, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkle, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. Stewart, J. A. Pople, Gaussian92/DFT, Revision F.3, M. Frisch, J. Foresman, and A. Frisch, Eds., Gaussian, Pittsburgh, PA, 1993.
- (1993) Gaussian92/DFT, Revision F.3
- Frisch, M.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Wong, M.W.⁶ Foresman, J.B.⁷ Robb, M.A.⁸ Head-Gordon, M.⁹ Replogle, E.S.¹⁰ Gomperts, R.¹¹ Andres, J.L.¹² Raghavachari, K.¹³ Binkle, J.S.¹⁴ Gonzalez, C.¹⁵ Martin, R.L.¹⁶ Fox, D.J.¹⁷ Defrees, D.J.¹⁸ Baker, J.¹⁹ Stewart, J.J.²⁰ Pople, J.A.²¹ more..

13
- 0000350665
- E. R. Davidson, S. H. Hagstrom, S. J. Chakravorty, V. M. Umar, and C. F. Fischer, Phys. Rev. A, 44, 7071 (1991).
- (1991) Phys. Rev. A , vol.44 , pp. 7071
- Davidson, E.R.¹ Hagstrom, S.H.² Chakravorty, S.J.³ Umar, V.M.⁴ Fischer, C.F.⁵

14
- 25344450852
- E. R. Davidson, S. H. Hagstrom, S. J. Chakravorty, V. M. Umar, and C. F. Fischer, Phys. Rev. A, 47, 3649 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 3649
- Davidson, E.R.¹ Hagstrom, S.H.² Chakravorty, S.J.³ Umar, V.M.⁴ Fischer, C.F.⁵

15
- 84950587781
- H. Hotop and W. C. Lineberger, J. Phys. Chem. Ref. Data, 14, 731 (1985).
- (1985) J. Phys. Chem. Ref. Data , vol.14 , pp. 731
- Hotop, H.¹ Lineberger, W.C.²

16
- 0001135473
- J. M. G. de la Vega, Phys. Rev. A, 51, 2616 (1995).
- (1995) Phys. Rev. A , vol.51 , pp. 2616
- De La Vega, J.M.G.¹

17
- 0002325655
- T. Miller and B. Bederson, Adv. Atom. Mol. Phys., 13, 1 (1977).
- (1977) Adv. Atom. Mol. Phys. , vol.13 , pp. 1
- Miller, T.¹ Bederson, B.²

18
- 0009803110
- A. Nicklass, M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys., 102, 8942 (1995).
- (1995) J. Chem. Phys. , vol.102 , pp. 8942
- Nicklass, A.¹ Dolg, M.² Stoll, H.³ Preuss, H.⁴

19
- 5344252086
- H. P. Saha, Phys. Rev. A, 47, 2865 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 2865
- Saha, H.P.¹

20
- 0001079031
- K. Andersson and A. Sadlej, Phys. Rev. A. 46, 2356 (1992).
- (1992) Phys. Rev. A. , vol.46 , pp. 2356
- Andersson, K.¹ Sadlej, A.²

21
- 33847059922
- P. Milani, I. Moullet, and W. A. de Heer, Phys. Rev. A, 42, 5150 (1990).
- (1990) Phys. Rev. A , vol.42 , pp. 5150
- Milani, P.¹ Moullet, I.² De Heer, W.A.³

22
- 0002452782
- H.-J. Werner and W. Meyer, Phys. Rev. A, 13, 13 (1978).
- (1978) Phys. Rev. A , vol.13 , pp. 13
- Werner, H.-J.¹ Meyer, W.²

23
- 0003468774
- Macmillan, New York
- A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, Macmillan, New York, 1982.
- (1982) Modern Quantum Chemistry
- Szabo, A.¹ Ostlund, N.S.²

24
- 0003720693
- Elsevier, New York
- S. Fraga, K. Saxena, and J. Karwowski, Handbook of Atomic Data, Elsevier, New York, 1976.
- (1976) Handbook of Atomic Data
- Fraga, S.¹ Saxena, K.² Karwowski, J.³

25
- 23244460838
- J. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B, 46, 6671 (1992).
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

26
- 0001728634
- J. Chen, J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A. 54, 3939 (1996).
- (1996) Phys. Rev. A. , vol.54 , pp. 3939
- Chen, J.¹ Krieger, J.B.² Li, Y.³ Iafrate, G.J.⁴

27
- 36149005506
- R. T. Sharp and G. K. Horton, Phys. Rev., 90, 317 (1953).
- (1953) Phys. Rev. , vol.90 , pp. 317
- Sharp, R.T.¹ Horton, G.K.²

28
- 0001847092
- J. D. Talman and W. F. Shadwick, Phys. Rev. A, 14, 36 (1976).
- (1976) Phys. Rev. A , vol.14 , pp. 36
- Talman, J.D.¹ Shadwick, W.F.²

29
- 26144450583
- J. P. Perdew and A. Zunger, Phys. Rev. B, 23, 5048 (1981).
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

30
- 11744288276
- Y. Guo and M. A. Whitehead, Phys. Rev. A, 39, 28 (1989).
- (1989) Phys. Rev. A , vol.39 , pp. 28
- Guo, Y.¹ Whitehead, M.A.²

31
- 0345582864
- S. Manoli and M. A. Whitehead, Phys. Rev. A, 34, 4629 (1986).
- (1986) Phys. Rev. A , vol.34 , pp. 4629
- Manoli, S.¹ Whitehead, M.A.²

32
- 0343008558
- S. Manoli and M. A. Whitehead, Phys. Rev. A. 38, 630 (1988).
- (1988) Phys. Rev. A. , vol.38 , pp. 630
- Manoli, S.¹ Whitehead, M.A.²

33
- 0012149911
- N. A. Cordero and J. A. Alonso, Int. J. Quantum Chem., 61, 253 (1997).
- (1997) Int. J. Quantum Chem. , vol.61 , pp. 253
- Cordero, N.A.¹ Alonso, J.A.²

34
- 4143095330
- R. A. Kendall, T. H. Dunning Jr., and R. J. Harrison, J. Chem. Phys., 96, 6796 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning Jr., T.H.² Harrison, R.J.³

35
- 0011767161
- D. E. Woon and T. H. Dunning Jr., J. Chem. Phys., 99, 3730 (1993).
- (1993) J. Chem. Phys. , vol.99 , pp. 3730
- Woon, D.E.¹ Dunning Jr., T.H.²

36
- 36549098162
- K. Raghavachari, J. Chem. Phys., 82, 4142 (1985).
- (1985) J. Chem. Phys. , vol.82 , pp. 4142
- Raghavachari, K.¹

37
- 0000508979
- E.-A. Reinsch and W. Meyer, Phys. Rev. A, 14, 915 (1976).
- (1976) Phys. Rev. A , vol.14 , pp. 915
- Reinsch, E.-A.¹ Meyer, W.²

38
- 84931793545
- E.-A. Reinsch and W. Meyer, Mol. Phys., 31, 855 (1976).
- (1976) Mol. Phys. , vol.31 , pp. 855
- Reinsch, E.-A.¹ Meyer, W.²

39
- 0002232990
- H. D. Cohen and C. C. J. Roothaan, J. Chem. Phys., 43, S34 (1965).
- (1965) J. Chem. Phys. , vol.43
- Cohen, H.D.¹ Roothaan, C.C.J.²

40
- 3843062478
- N. A. Cordero, K. D. Sen, J. A. Alonso, and L. C. Balbas, Int. J. Quantum Chem., 52, 993 (1994).
- (1994) Int. J. Quantum Chem. , vol.52 , pp. 993
- Cordero, N.A.¹ Sen, K.D.² Alonso, J.A.³ Balbas, L.C.⁴

41
- 0042055337
- F. Moscardó, J. M. Pérez-Jordá, and E. San-Fabián, J. Chim. Phys., 86, 853 (1989).
- (1989) J. Chim. Phys. , vol.86 , pp. 853
- Moscardó, F.¹ Pérez-Jordá, J.M.² San-Fabián, E.³

42
- 3943050493
- F. Moscardó and E. San-Fabian, Phys. Rev. A, 44, 1549 (1991).
- (1991) Phys. Rev. A , vol.44 , pp. 1549
- Moscardó, F.¹ San-Fabian, E.²

43
- 0001783255
- E. San-Fabián, F. Moscardó, J. M. Pérez-Jordá, A. Aguado, and M. Paniagua, J. Mol. Struct. (Theochem), 254, 1 (1992).
- (1992) J. Mol. Struct. (Theochem) , vol.254 , pp. 1
- San-Fabián, E.¹ Moscardó, F.² Pérez-Jordá, J.M.³ Aguado, A.⁴ Paniagua, M.⁵

44
- 0001278199
- J. M. Pérez-Jordá, E. San-Fabián, and F.Moscardó, Phys. Rev. A, 45, 4407 (1992).
- (1992) Phys. Rev. A , vol.45 , pp. 4407
- Pérez-Jordá, J.M.¹ San-Fabián, E.² Moscardó, F.³

45
- 0002529010
- F. Moscardó and A. J. Pérez-Jiménez, J. Mol. Struct. (Theochem), 426, 47 (1998).
- (1998) J. Mol. Struct. (Theochem) , vol.426 , pp. 47
- Moscardó, F.¹ Pérez-Jiménez, A.J.²

46
- 0003498504
- Academic Press, New York
- I. S. Gradshtein and I. M. Ryzhik, Table of Integrals, Series and Products, Academic Press, New York, 1980.
- (1980) Table of Integrals, Series and Products
- Gradshtein, I.S.¹ Ryzhik, I.M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.