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Chemical Physics Letters

Volumn 362, Issue 5-6, 2002, Pages 511-518

An efficient implementation of second analytical derivatives for density functional methods

(3) Deglmann, Peter a Furche, Filipp a Ahlrichs, Reinhart a

a UNIVERSITY OF KARLSRUHE (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037179458 PISSN: 00092614 EISSN: None Source Type: Journal
DOI: 10.1016/S0009-2614(02)01084-9 Document Type: Article

Times cited : (554)

References (33)

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

2
- 84987100611
- J.A. Pople, R. Krishnan, H.B. Schlegel, J.S. Binkley, Int. J. Quantum Chem.: Quantum Chem. Symp. 13 (1979) 225.
- (1979) Int. J. Quantum Chem.: Quantum Chem. Symp , vol.13 , pp. 225
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

3
- 0000309283
- R. Fournier, J. Chem. Phys. 92 (1990) 5422.
- (1990) J. Chem. Phys , vol.92 , pp. 5422
- Fournier, R.¹

4
- 0002103842
- B.I. Dunlap, J. Andzelm, Phys. Rev. A 45 (1992) 81.
- (1992) Phys. Rev. A , vol.45 , pp. 81
- Dunlap, B.I.¹ Andzelm, J.²

5
- 85005723006
- N.C. Handy, D.J. Tozer, G.J. Laming, C.W. Murray, R.D. Amos, Isr. J. Chem. 33 (1993) 331.
- (1993) Isr. J. Chem , vol.33 , pp. 331
- Handy, N.C.¹ Tozer, D.J.² Laming, G.J.³ Murray, C.W.⁴ Amos, R.D.⁵

6
- 36449000295
- A. Komornicki, G. Fitzgerald, J. Chem. Phys. 98 (1993) 1398.
- (1993) J. Chem. Phys , vol.98 , pp. 1398
- Komornicki, A.¹ Fitzgerald, G.²

7
- 36449006224
- B.G. Johnson, M.J. Frisch, J. Chem. Phys. 100 (1994) 7429.
- (1994) J. Chem. Phys , vol.100 , pp. 7429
- Johnson, B.G.¹ Frisch, M.J.²

8
- 4243539377
- Current version: Available from
- R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 162 (1989) 165, Current version: Available from .
- (1989) Chem. Phys. Lett , vol.162 , pp. 165
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

9
- 0011083273
- A.P. Scott, L. Radom, J. Phys. Chem. 100 (1996) 16502.
- (1996) J. Phys. Chem , vol.100 , pp. 16502
- Scott, A.P.¹ Radom, L.²

10
- 0000496681
- M.D. Halls, H.B. Schlegel, J. Chem. Phys. 109 (1998) 10587.
- (1998) J. Chem. Phys , vol.109 , pp. 10587
- Halls, M.D.¹ Schlegel, H.B.²

11
- 4243402296
- O. Treutler, R. Ahlrichs, J. Chem. Phys. 102 (1995) 346.
- (1995) J. Chem. Phys , vol.102 , pp. 346
- Treutler, O.¹ Ahlrichs, R.²

12
- 0035151496
- J.M.L. Martin, C.W. Bauschlicher, A. Ricca, Comp. Phys. Commun. 133 (2001) 189.
- (2001) Comp. Phys. Commun , vol.133 , pp. 189
- Martin, J.M.L.¹ Bauschlicher, C.W.² Ricca, A.³

13
- 0001610389
- B.G. Johnson, M.J. Frisch, Chem. Phys. Lett. 216 (1993) 133.
- (1993) Chem. Phys. Lett , vol.216 , pp. 133
- Johnson, B.G.¹ Frisch, M.J.²

14
- 0000189651
- A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
- (1993) J. Chem. Phys , vol.98 , pp. 5648
- Becke, A.D.¹

15
- 4243553426
- A.D. Becke, Phys. Rev. A 38 (1998) 3098.
- (1998) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

16
- 0000216001
- S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58 (1980) 1200.
- (1980) Can. J. Phys , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

17
- 5944261746
- J.P. Perdew, Phys. Rev. B 33 (1986) 8822.
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

18
- 0345491105
- C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

19
- 84988137816
- M. Häser, R. Ahlrichs, J. Comput. Chem. 10 (1989) 104.
- (1989) J. Comput. Chem , vol.10 , pp. 104
- Häser, M.¹ Ahlrichs, R.²

20
- 0001618484
- M.J. Frisch, M. Head-Gordon, J.A. Pople, Chem. Phys. 141 (1990) 189.
- (1990) Chem. Phys , vol.141 , pp. 189
- Frisch, M.J.¹ Head-Gordon, M.² Pople, J.A.³

21
- 0031591286
- C. Ochsenfeld, M. Head-Gordon, Chem. Phys. Lett. 270 (1997) 399.
- (1997) Chem. Phys. Lett , vol.270 , pp. 399
- Ochsenfeld, C.¹ Head-Gordon, M.²

22
- 0043049887
- A.D. Becke, J. Chem. Phys. 88 (1988) 2547.
- (1988) J. Chem. Phys , vol.88 , pp. 2547
- Becke, A.D.¹

23
- 0001447932
- P.M.W. Gill, B.G. Johnson, J.A. Pople, Chem. Phys. Lett. 209 (1993) 506.
- (1993) Chem. Phys. Lett , vol.209 , pp. 506
- Gill, P.M.W.¹ Johnson, B.G.² Pople, J.A.³

24
- 84947139439
- C.W. Murray, N.C. Handy, G.J. Laming, Mol. Phys. 78 (1993) 997.
- (1993) Mol. Phys , vol.78 , pp. 997
- Murray, C.W.¹ Handy, N.C.² Laming, G.J.³

25
- 26344435738
- A. Schäfer, H. Horn, R. Ahlrichs, J. Chem. Phys. 97 (1992) 2571.
- (1992) J. Chem. Phys , vol.97 , pp. 2571
- Schäfer, A.¹ Horn, H.² Ahlrichs, R.³

26
- 0035875629
- F. Furche, R. Ahlrichs, J. Chem. Phys. 114 (2001) 10362.
- (2001) J. Chem. Phys , vol.114 , pp. 10362
- Furche, F.¹ Ahlrichs, R.²

27
- 11744322674
- D. Andrae, U. Häussermann, M. Dolg, H. Stoll, H. Preuss, Theor. Chim. Acta 77 (1990) 123.
- (1990) Theor. Chim. Acta , vol.77 , pp. 123
- Andrae, D.¹ Häussermann, U.² Dolg, M.³ Stoll, H.⁴ Preuss, H.⁵

28
- 16444375810
- B.G. Johnson, P.M.W. Gill, J.A. Pople, J. Chem. Phys. 98 (1993) 5612.
- (1993) J. Chem. Phys , vol.98 , pp. 5612
- Johnson, B.G.¹ Gill, P.M.W.² Pople, J.A.³

29
- 0030570305
- M.W. Wong, Chem. Phys. Lett. 256 (1996) 391.
- (1996) Chem. Phys. Lett , vol.256 , pp. 391
- Wong, M.W.¹

30
- 0040312318
- and references therein
- H.V.R. Dias, H.L. Lu, Inorg. Chem. 34 (1995) 5380, and references therein.
- (1995) Inorg. Chem , vol.34 , pp. 5380
- Dias, H.V.R.¹ Lu, H.L.²

31
- 0001035367
- A.A. Purkowo, S.D. Tibensky, A.J. Lees, Inorg. Chem. 35 (1996) 7049.
- (1996) Inorg. Chem , vol.35 , pp. 7049
- Purkowo, A.A.¹ Tibensky, S.D.² Lees, A.J.³

32
- 0039209924
- A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 100 (1994) 5829.
- (1994) J. Chem. Phys , vol.100 , pp. 5829
- Schäfer, A.¹ Huber, C.² Ahlrichs, R.³

33
- 22944484208
- K. Eichkorn, O. Treutler, H. Öhm, R. Ahlrichs, Chem. Phys. Lett. 240 (1995) 283.
- (1995) Chem. Phys. Lett , vol.240 , pp. 283
- Eichkorn, K.¹ Treutler, O.² Öhm, H.³ Ahlrichs, R.⁴

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