Adiabatic ab initio time-dependent density-functional theory employing optimized-effective-potential many-body perturbation theory potentials

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 73, Issue 2, 2006, Pages

  Bokhan, Denis ^a   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL COMPLEXITY; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

ADIABATIC APPROXIMATION; SECOND-ORDER APPROXIMATION;

HIGH ENERGY PHYSICS;

EID: 33144465519     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.73.022502     Document Type: Article

References (25)

1. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
2. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
3. E. K. U. Gross and W. Kohn, Adv. Quantum Chem. AQCHA9 0065-3276 21, 255 (1990).
4. M. E. Casida, in Recent Advances in Density Functional Methods, Part 1, edited by, D. P. Chong, (World Scientific, Singapore, 1995).
5. M. Petersilka, U. J. Gossmann, and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.1212 76, 1212 (1996).
6. A. Gorling and M. Levy, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.50.196 50, 196 (1994).
7. A. Gorling and M. Levy, Int. J. Quantum Chem., Quantum Chem. Symp. IJQSDI 0161-3642 29, 93 (1995).
8. I. Grabowski, S. Hirata, S. Ivanov, and R. J. Bartlett, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1445117 116, 4415 (2002).
9. R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1809605 122, 034104 (2005).
10. R. J. Bartlett, V. Lotrich, and I. Schweigert, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1904585 123, 062205 (2005).
11. C. Filippi, C. J. Umrigar, and X. Gonze, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.54.4810 54, 4810 (1996).
12. C. J. Umrigar and X. Gonze, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.50.3827 50, 3827 (1994).
13. A. Gorling, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.57.3433 57, 3433 (1998).
14. S. Hirata, S. Ivanov, I. Grabowski, and R. J. Bartlett, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1460869 116, 6468 (2002).
15. S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.5455 83, 5455 (1999).
16. M. Stadele, J. A. Majewski, P. Vogl, and A. Goerling, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.2089 79, 2089 (1997).
17. D. Bokhan, I. V. Schweigert, and R. J. Bartlett, Mol. Phys. MOPHAM 0026-8976 103, 2299 (2005).
18. D. P. Chong, O. V. Gritsenko, and E. J. Baerrends, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1430255 116, 1760 (2002).
19. P. O. Widmark, B. J. Persson, and B. Roos, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF01112569 79, 419 (1991).
20. K. Siegbang, ESCA Applied to Free Molecules (American Elsevier Publishing, New York, 1969), p 31.
21. C. E. Moore, Atomic Energy Levels, Natl. Bur. Stand. (U.S.) (U.S. GPO, Washington, D.C., 1949), Vol. 1.
22. R. Colle and R. K. Nesbet, J. Phys. B JPAPEH 0953-4075 34, 2475 (2001).
23. S. A. Kucharskii, M. Wloch, M. Musial, and R. J. Bartlett, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1416173 115, 8263 (2001).
24. T. P. Straatsma, computer code NWCHEM, Version 4.7 (Pacific Northwest National Laboratory, Richland, Washington 99352-0999, USA, 2005).
25. R. J. Bartlett, I. Schweigert, and V. Lotrich, THEOCHEM THEODJ 0166-1280 (to be published).