SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Theoretica Chimica Acta

Volumn 79, Issue 6, 1991, Pages 419-432

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions - II. Second row atoms

(3) Widmark, Per Olof a Persson, B Joakim b Roos, Björn O b

a IBM (Sweden)

b CHEMICAL CENTER (Sweden)

Author keywords

ANO; Correlated molecular wave functions; Electron affinity; Ionization potential; Polarizability; Second row atoms

Indexed keywords

EID: 0009718858 PISSN: 00405744 EISSN: 14322234 Source Type: Journal
DOI: 10.1007/BF01112569 Document Type: Article

Times cited : (499)

References (22)

1
- 33748497962
- (1987) J Chem Phys , vol.86 , pp. 4070
- Almlöf, J.¹ Taylor, P.R.²

2
- 0042106817
- (1990) Theoret Chim Acta , vol.77 , pp. 291
- Widmark, P.O.¹ Malmqvist, PÅ² Roos, B.O.³

3
- 36549101412
- (1988) J Chem Phys , vol.88 , pp. 5715
- Langhoff, S.R.¹ Bauschlicher, C.W.² Taylor, P.R.³

4
- 84914060472
- Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitives
- (1979) The Journal of Chemical Physics , vol.71 , pp. 3951
- Schmidt, M.W.¹ Ruedenberg, K.²

5
- 0003576974
- Wiley, New York
- (1977) The Hartree-Fock method for atoms, a numerical approach
- Froese-Fischer, C.¹

6
- 84935945181
- Moore CE (1949) Circ Nat Bureau Stand 467

7
- 0000508979
- (1976) Phys Rev A , vol.14 , pp. 915
- Reinsch, E.A.¹ Meyer, W.²

8
- 0000836610
- (1974) Phys Rev , vol.10 A , pp. 1131
- Molof, R.W.¹ Schwartz, H.L.² Miller, T.H.³ Bederson, B.⁴

9
- 0000822427
- (1971) At Data , vol.3 , pp. 195
- Teachout, R.R.¹ Pack, R.T.²

10
- 36549102041
- (1985) J Chem Phys , vol.82 , pp. 890
- Ahlrichs, R.¹ Scharf, P.² Ehrardt, C.³

11
- 0003772826
- R., Daudel, B., Pullman, Reidel, Dordrecht, Netherlands
- (1974) The world of quantum chemistry
- Davidson, E.R.¹

12
- 0005079653
- (1988) J Chem Phys , vol.89 , pp. 2185
- Olsen, J.¹ Roos, B.O.² Jørgensen, P.³ Jensen, H.J.A.⁴

13
- 84935947379
- Olsen J, Sundholm D (to be published); see also Sundholm D, Olsen J (1990) Phys Rev A 42

14
- 0001177596
- (1980) Chem Phys , vol.48 , pp. 157
- Roos, B.O.¹ Taylor, P.R.² Siegbahn, P.E.M.³

15
- 36749109030
- (1980) J Chem Phys , vol.72 , pp. 1647
- Siegbahn, P.E.M.¹

16
- 84935978927
- Karlström G, Malmqvist PÅ, Roos BO, Sadlej AJ, Widmark PO (1990) University of Lund, Sweden, MOLCAS-1

17
- 0003919080
- van Nostrand Reinhold, New York
- (1979) Constants of diatomic molecules
- Huber, K.P.¹ Herzberg, G.²

18
- 84935954763
- Lorentzon J, Roos BO (to be published)

19
- 84935958339
- An SCF calculation with the primitive basis set (17 s12 p5 d) resulted in a bond distance 0.004 Å shorter (1.854 Å) than that obtained with the 4 s3 p2 d ANO basis set (1.858 Å).

20
- 36549096029
- (1984) J Chem Phys , vol.80 , pp. 3297
- Müller, W.¹ Flesch, J.² Meyer, W.³

21
- 0011779352
- (1988) J Chem Phys , vol.88 , pp. 6431
- Partridge, H.¹ Langhoff, S.R.² Bauschlicher, C.W.³

22
- 84935961030
- Fowler PW, Sadlej A (1991) 73

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.