Separation of the dynamical and non-dynamical electron correlation effects

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 34, Issue 3, 2001, Pages 275-283

  Valderrama, E ^a,b   Mercero, J M ^b   Ugalde, J M ^b  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM; CALCULATIONS; CARRIER CONCENTRATION; GROUND STATE; HOLE TRAPS;

BERYLLIUM ISOELECTRONIC SEQUENCE; DYNAMICAL COULOMB HOLES; ELECTRON CORRELATION EFFECTS; ELECTRON PAIR DENSITIES; ELECTRON-ELECTRON COUNTERBALANCE DENSITY; NONDYNAMICAL COULOMB HOLES;

ELECTRODYNAMICS;

EID: 0035249312     PISSN: 09534075     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-4075/34/3/306     Document Type: Article

References (76)

1. Clementi E (ed) 1993 Methods and Techniques in Computational Chemistry, METECC-94 (Cagliari: STEF)
2. Löwdin P-O 1959 Adv. Chem. Phys. 2 207
3. Sinanoǧlu O 1964 Adv. Chem. Phys. 6 315
4. Lie G C and Clementi E 1974 J. Chem. Phys. 60 1275
5. Lie G C and Clementi E 1974 J. Chem. Phys. 60 1288
6. Ruedenberg K, Cheung L M and Elbert S T 1979 Int. J. Quantum Chem. 16 1069
7. Roos B 1980 Int. J. Quantum Chem. Symp. 14 175
8. Datta B and Mukherjee D 1995 Chem. Phys. Lett. 235 31
9. Glushkov V 1995 Chem. Phys. Lett. 244 1
10. Krylov A I, Sherrill C D, Byrd E F C and Head-Gordon M 1998 J. Chem. Phys. 109 10 669
11. Li X and Paldus J 1999 J. Chem. Phys. 110 2844
12. Nakayama K, Hirao K and Lindh R 1999 Chem. Phys. Lett. 300 303
13. Slater J, Mann JB, Wilson T M and Wood J H 1969 Phys. Rev. 184 672
14. Dunlap B I 1987 Adv. Chem. Phys. 69 287
15. Goddard J D and Orlova G 1999 J. Chem. Phys. 111 7705
16. Perdew J P, Savin A and Burke K 1995 Phys. Rev. A 51 4531
17. Wang S G and Schwarz W H E 1996 J. Chem. Phys. 105 4641
18. Borowski P, Jordan K D, Nichols J and Nachtigall P 1998 Theor. Chem. Acc. 99 135
19. Filatov M and Shaik S 1999 Chem. Phys. Lett. 304 429
20. Sherrill C D, Lee M S and Head-Gordon M 1999 Chem. Phys. Lett. 302 425
21. Gutle C, Savin A, Krieger J B and Chen J Q 1999 Int. J. Quantum Chem. 75 885
22. Grimme S and Waletzke M 1999 J. Chem. Phys. 111 5645
23. Gräfenstein J and Cremer D 2000 Chem. Phys. Lett. 316 569
24. Lee M S and Head-Gordon M 2000 Int. J. Quantum Chem. 76 169
25. Choi C H, Kertesz M and Karpfen A 1997 J. Chem. Phys. 107 6712
26. Gritsenko O V, Schipper P R T and Baerends E J 1997 J. Chem. Phys. 107 5007
27. Schipper P R T, Gritsenko O V and Baerends E J 1999 J. Chem. Phys. 111 329
28. Savin A and Flad H-J 1995 Int. J. Quantum Chem. 56 327
29. Leininger T, Stoll H, Werner H-J and Savin A 1997 Chem. Phys. Lett. 275 151
30. Rassolov V A 1999 J. Chem. Phys. 110 3672
31. Cioslowski J 1991 Phys. Rev. A 43 1223
32. Mok D K, Neumann R and Handy N 1996 J. Phys. Chem. 100 6225
33. Valderrama E, Ludeña E V and Hinze J 1997 J. Chem. Phys. 106 9227
34. Coleman A J 1967 Int. J. Quantum Chem. S 1 457
35. Thakkar A J 1987 Density Matrices and Density Functionals ed R Erdahl and V H Smith Jr (Dordrecht: Reidel) pp 553-81
36. Boyd R J and Ugalde J M 1992 Computational Chemistry part A, ed S Fraga (Amsterdam: Elsevier) pp 273-99
37. Cioslowski J and Liu G 1996 J. Chem. Phys. 105 8187
38. Sarasola C, Dominguez L, Aguado M and Ugalde J M 1992 J. Chem. Phys. 96 6778
39. Fradera X, Duran M and Mestres J 1997 J. Chem. Phys. 107 3576
40. Ugalde J M and Boyd R J 1986 Int. J. Quantum Chem. 29 1
41. Boyd R J, Sarasola C and Ugalde J M 1988 J. Phys. B: At. Mol. Opt. Phys. 21 2555
42. Wang J, Tripathi A N and Smith V H Jr 1992 J. Chem. Phys. 97 9188
43. Cioslowski J and Liu G 1999 J. Chem. Phys. 110 1882
44. Cioslowski J, Liu G, Rychlewski J, Cancek W and Komasa J 1999 J. Chem. Phys. 111 3401
45. Colle R and Salvetti O 1975 Theor. Chim. Acta 37 329
46. Sharma B S and Thakkar A J 1985 J. Chem. Phys. 83 3577
47. Colle R and Salvetti O 1987 Density Matrices and Density Functionals ed R Erdahl and V H Smith Jr (Dordrecht: Reidel) p 545
48. Lee C T, Yang W T and Parr R G 1988 Phys. Rev. B 37 785
49. Koga T 1990 J. Chem. Phys. 93 5856
50. Moscardó F and San Fabián E 1991 Int. J. Quantum Chem. 40 23
51. Filatov M and Thiel W 1997 Int. J. Quantum Chem. 62 603
52. Tsuneda T, Suzumura T and Hirao K 1999 J. Chem. Phys. 110 10 664
53. Schipper PRT, Gritsenko O V and Baerends E J 1998 Phys. Rev. A 57 1729
54. Koga T and Matsuyama H 1999 Int. J. Quantum Chem. 74 455
55. Ugalde J M and Sarasola C 1994 Phys. Rev. A 49 3081
56. Koga T and Matsuyama H 1997 J. Chem. Phys. 107 10 062
57. Fradera X, Duran M, Valderrama E and Ugalde J M 2000 Phys. Rev. A 62 34 502
58. Mercero J M, Fowler J E, Sarasola C and Ugalde J M 1999 Phys. Rev. A 59 4255
59. Valderrama E, Ludeña E V and Hinze J 1999 J. Chem. Phys. 110 2343
60. Ugalde J M, Sarasola C, Dominguez L and Boyd R J 1991 J. Math. Chem. 6 51
61. Schmidt M W et al 1993 J. Comput. Chem. 14 1347
62. Dunning T H 1971 J. Chem. Phys. 55 716
63. Koga T and Matsuyama H 1997 J. Phys. B: At. Mol. Opt. Phys. 30 5631
64. Koga T 1998 J. Chem. Phys. 108 2515
65. Valderrama E, Fradera X and Ugalde J M 2000 unpublished
66. Linderberg J and Shull H 1960 J. Mol. Spectrosc. 5 1
67. Debye P 1925 J. Math. Phys. 4 133
68. Coulson C A and Neilson A H 1961 Proc. Phys. Soc. 78 831
69. Valderrama E, Ugalde J M and Boyd R J 2000 Advances in the Theory of Many-Electron Densities and Reduced Density Matrices ed J Cioslowski (New York: Kluwer/Plenum) p 231
70. Benesh R and Smith V H Jr 1971 J. Chem. Phys. 55 482
71. Watson R 1961 Ann. Phys., NY 13 250
72. Gálvez F J, Buendía E and Sarsa A 1999 J. Chem. Phys. 111 10 903
73. Borden W T and Davidson E R 1996 Accounts Chem. Res. 29 67
74. Banyard K E and Mobbs R J 1981 J. Chem. Phys. 75 3432
75. Burke K, Perdew J P and Ernzerhof M 1998 J. Chem. Phys. 109 3760
76. Yan Z, Perdew J P, Kurth S, Fiolhais C and Almeida L 2000 Phys. Rev. B 61 2595