SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

International Journal of Quantum Chemistry

Volumn 14, Issue 12 S, 1978, Pages 169-190

Evaluation of the LCAO Hartree—Fock—Slater method: Applications to transition‐metal complexes

(2) Baerends, E J a Ros, P a

a VU UNIVERSITY AMSTERDAM (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84987090061 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.560140814 Document Type: Article

Times cited : (514)

References (49)

1
- 0000939312
- (1966) J. Chem. Phys. , vol.45 , pp. 3085
- Johnson, K.H.¹

2
- 0001178066
- (1975) Chem. Phys. , vol.8 , pp. 412
- Baerends, E.J.¹ Ros, P.²

3
- 0001020259
- (1975) J. Chem. Phys. , vol.62 , pp. 1122
- Sambe, H.¹ Felton, R.H.²

4
- 84905669025
- (1977) Int. J. Quantum Chem. Suppl. , vol.11 , pp. 81
- Dunlap, B.I.¹ Connoly, J.W.D.² Sabin, J.R.³

5
- 36749106077
- (1977) J. Chem. Phys. , vol.66 , pp. 3745
- Tylicki, J.¹ Hood, R.J.² Gallup, G.A.³ Eckhard, C.J.⁴

6
- 33744579730
- Muffin-tin orbitals and the total energy of atomic clusters
- (1977) Physical Review B , vol.15 , pp. 3027
- Gunnarson, O.¹ Harris, J.² Jones, R.O.³

7
- 0038023343
- (1973) Chem. Phys. , vol.2 , pp. 41
- Baerends, E.J.¹ Ellis, D.E.² Ros, P.³

8
- 0003029838
- (1973) Chem. Phys. , vol.2 , pp. 52
- Baerends, E.J.¹ Ros, P.²

9
- 0001178066
- (1975) Chem. Phys. , vol.8 , pp. 412
- Baerends, E.J.¹ Ros, P.²

10
- 7444220360
- (1976) Chem. Phys. , vol.16 , pp. 371
- Heijser, W.¹ van Kessel, A.T.² Baerends, E.J.³

11
- 0042113153
- Self-Consistent Equations Including Exchange and Correlation Effects
- (1965) Physical Review , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

12
- 0000236776
- Über eine Approximation des Hartree-Fockschen Potentials Durch eine Universelle Potentialfunktion
- (1954) Acta Physica Academiae Scientiarum Hungaricae , vol.3 , pp. 263
- Gaspar, R.¹

13
- 0348120415
- (1971) J. Phys. C , vol.4 , pp. 2064
- Hedin, L.¹ Lundquist, B.I.²

14
- 0003689074
- Plenum, New York
- (1971) Computational Methods in Band Theory , pp. 271-277
- Ellis, D.E.¹ Painter, G.S.²

15
- 84987086239
- 2887
- (1970) Phys. Rev. B , vol.2

16
- 4244001081
- (1970) Phys. Rev. B , vol.1 , pp. 4747
- Painter, G.S.¹ Ellis, D.E.²

17
- 84968515112
- A method for numerical integration
- (1961) Mathematics of Computation , vol.15 , pp. 323
- Haselgrove, C.B.¹

18
- 33751065104
- (1977) Theor. Chim. Acta , vol.46 , pp. 1
- Ziegler, T.¹ Rauk, A.²

19
- 0347579705
- Hartree-Fock Wavefunctions of Nominal Accuracy for He through Rb+ Calculated by the Expansion Method
- (1972) The Journal of Chemical Physics , vol.56 , pp. 5195
- Bagus, P.S.¹ Gilbert, T.L.² Roothaan, C.C.J.³

20
- 84995179896
- (1967) Int. J. Quantum Chem. Suppl. , vol.1 , pp. 313
- Yoshimine, M.¹ McLean, A.D.²

21
- 34547360009
- Configuration Interaction Studies of NO and NO+ with Comparisons to Photoelectron Spectra
- (1972) The Journal of Chemical Physics , vol.57 , pp. 3716
- Thulstrup, E.W.¹ Öhrn, Y.²

22
- 84912228772
- Ionization potentials and bond lengths for CO, N2, and F2using the SCF-Xα-SW method: A study of the effect of overlapping spheres
- (1976) Molecular Physics , vol.31 , pp. 529
- Salahub, D.R.¹ Mesmer, R.P.² Johnson, K.H.³

23
- 84987092071
- (1973) Int. J. Quantum Chem. Suppl. , vol.7 , pp. 353
- Weinberger, P.¹ Konawalow, D.D.²

24
- 36749107127
- Dipole moment functions for LiH and HF, both experimental and Hartree‐Fock, see
- (1975) J. Chem. Phys. , vol.63 , pp. 2356
- Meyer, W.¹ Rosmus, P.²

25
- 0000470081
- LiF, experimental from
- (1968) J. Chem. Phys. , vol.48 , pp. 2824
- Hebert, A.J.¹ Lovas, F.J.² Melenares, C.A.³ Hollowell, C.D.⁴ Story, T.L.⁵ Street, K.⁶

26
- 36849139511
- Hartree‐Fock from
- (1964) J. Chem. Phys. , vol.40 , pp. 2774
- McLean, A.D.¹

27
- 0000686704
- Electric dipole moment function of the X 1Σ+ state of CO: Vibration–rotation matrix elements for transitions of gas laser and astrophysical interest
- CO, experimental from
- (1976) The Journal of Chemical Physics , vol.65 , pp. 4228
- Chakerian, C.¹

28
- 36749121054
- Multiconfiguration self-consistent-field calculation of the dipole moment function of CO(X 1Σ+)
- Hartree‐Fock from
- (1974) The Journal of Chemical Physics , vol.60 , pp. 4130
- Billinsley, F.P.¹ Krauss, M.²

29
- 0006800945
- NO, experimental from
- (1973) J. Mol. Spectrosc. , vol.47 , pp. 134
- Chandraiah, G.¹ Cho, C.W.²

30
- 36749105215
- and Hartree‐Fock from
- (1975) J. Chem. Phys. , vol.62 , pp. 864
- Billingsley, F.P.¹

31
- 0000651083
- (1973) Chem. Phys. Lett. , vol.23 , pp. 391
- Baerends, E.J.¹ Ros, P.²

32
- 84947143236
- (1975) Mol. Phys. , vol.30 , pp. 1735
- Baerends, E.J.¹ Ros, P.²

33
- 0010620252
- (1975) J. Electron Spectrosc. Relat. Phenom. , vol.6 , pp. 259
- Baerends, E.J.¹ Oudshoorn, Ch.² Oskam, A.³

34
- 0000447673
- (1976) Chem. Phys. , vol.16 , pp. 209
- Ziegler, T.¹ Rauk, A.² Baerends, E.J.³

35
- 0000529442
- (1972) Theor. Chim. Acta , vol.27 , pp. 281
- Coutière, M.M.¹ Demuynck, J.² Veillard, A.³

36
- 49549142334
- (1975) J. Electron Spectrosc. Relat. Phenom. , vol.7 , pp. 69
- Baerends, E.J.¹ Ros, P.²

37
- 0345943408
- (1977) Surf. Sci. , vol.64 , pp. 649
- Ellis, D.E.¹ Baerends, E.J.² Adachi, H.³ Averill, F.W.⁴

38
- 0014625919
- (1969) J. Phys. B , vol.2 , pp. 1336
- Hedin, L.¹ Johansson, G.²

39
- 0000213785
- (1970) Chem. Phys. Lett. , vol.6 , pp. 631
- Schwartz, M.E.¹

40
- 0001516632
- (1974) J. Electron Spectrosc. Relat. Phenom. , vol.3 , pp. 137
- Davis, D.W.¹ Shirley, D.A.²

41
- 84987057874
- Phys. Rev. B
- Plummer, E.W.¹ Salaneck, W.R.² Miller, J.S.³

42
- 0000705503
- (1977) Phys. Rev. B , vol.16 , pp. 2408
- Lang, N.D.¹ Williams, A.R.²

43
- 4243294722
- (1971) Chem. Phys. Lett. , vol.10 , pp. 121
- Clark, D.T.¹ Adams, D.B.²

44
- 84987141694
- Singlet-triplet splittings as obtained from theX?-scattered wave method: A theoretical analysis
- (1975) International Journal of Quantum Chemistry , vol.9 , pp. 143
- Bagus, P.S.¹ Bennett, B.I.²

45
- 0003105868
- (1972) Adv. Quantum Chem. , vol.6 , pp. 1
- Slater, J.C.¹

46
- 0010297377
- (1977) Theor. Chim. Acta , vol.43 , pp. 261
- Ziegler, T.¹ Rauk, A.² Baerends, E.J.³

47
- 0003685941
- McGraw‐Hill, New York
- (1974) The Self‐Consistent Field for Molecules and Solids, Quantum Theory of Molecules and Solids , vol.4
- Slater, J.C.¹

48
- 0001367518
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 7918
- Rees, B.¹ Mitschler, A.²

49
- 84987145193
- Heijser, W.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.