Density functional theory beyond the linear regime: Validating an adiabatic local density approximation

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 83, Issue 3, 2011, Pages

  Helbig, N ^a   Fuks, J I ^a   Casula, M ^b   Verstraete, M J ^c,d   Marques, M A L ^d,e   Tokatly, I V ^a,f   Rubio, A ^a,g  

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

^b UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^c UNIVERSITY OF LIÈGE   (Belgium)

^d European Theoretical Spectroscopy Facility   (Spain)

^e UNIVERSITÉ LYON 1   (France)

^f BASQUE FOUNDATION FOR SCIENCE   (Spain)

^g FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

1-D MODELS; 1D SYSTEMS; D DIMENSIONS; DOUBLE EXCITATIONS; ELECTRON SYSTEMS; EXACT CALCULATIONS; EXACT EXCHANGE; EXACT SOLUTION; GROUND-STATE ENERGIES; LINEAR REGIME; LINEAR RESPONSE; ONE-DIMENSIONAL (1D) SYSTEM; QUANTUM MONTE CARLO CALCULATIONS; SINGLE ELECTRON; STRONG LASER FIELD; THREE-DIMENSIONAL (3D); TIME-DEPENDENT RESPONSE; YOUNG DIAGRAM;

IONIZATION POTENTIAL; LOCAL DENSITY APPROXIMATION; THREE DIMENSIONAL;

DENSITY FUNCTIONAL THEORY;

EID: 79952632707     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.83.032503     Document Type: Article

References (34)

1. E. Runge and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984).
2. M. A. L. Marques Time-Dependent Density Functional Theory, Lecture Notes in Physics Vol. 706 (Springer, Berlin/Heidelberg, 2006).
3. G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
4. N. T. Maitra, K. Burke, and C. Woodward, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.023002 89, 023002 (2002).
5. N. T. Maitra, F. Zhang, R. Cave, and K. Burke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1651060 120, 5932 (2004).
6. A. Dreuw and M. Head-Gordon, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja039556n 126, 4007 (2004). (Pubitemid 38391893)
7. N. Maitra, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1924599 122, 234104 (2005). (Pubitemid 41100392)
8. K. Burke, J. Werschnik, and E. K. U. Gross, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1904586 123, 062206 (2005). (Pubitemid 41231964)
9. D. Varsano, A. Marini, and A. Rubio, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.133002 101, 133002 (2008).
10. TDDFT for Molecules and Molecular Solids, edited by, M. Casida, H. Chermette, and, D. Jacquemin, special issue of Journal of Molecular Structure: THEOCHEM 914, 1-3 (2009).
11. L. Goerigk, J. Moellmann, and S. Grimme, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b902315a 11, 4611 (2009).
12. O. Gritsenko and E. Baerends, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b903123e 11, 4640 (2009).
13. M. Stahelin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464904 98, 5595 (1993).
14. P. Kaatz, E. Donley, and D. Shelton, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475448 108, 849 (1998).
15. J. Javanainen, J. Eberly, and Q. Su, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3430 38, 3430 (1988).
16. J. Eberly, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.42.5750 42, 5750 (1990).
17. M. Lein, E. K. U. Gross, and V. Engel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.4707 85, 4707 (2000). (Pubitemid 32070402)
18. M. Lein, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.72.053816 72, 053816 (2005). (Pubitemid 41776233)
19. M. Thiele, E. K. U. Gross, and S. Kümmel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.153004 100, 153004 (2008). (Pubitemid 351570775)
20. D. G. Tempel, T. J. Martínez, and N. T. Maitra, J. Chem. Theory Comput. PRLTAO 1549-9618 10.1021/ct800535c 5, 770 (2009).
21. N. Helbig, I. Tokatly, and A. Rubio, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3271392 131, 224105 (2009).
22. L. D. Landau and E. M. Lifschitz, Quantum mechanics non-relativistic theory, Course of Theoretical Physics, Vol. 3 (Butterworth-Heinemann, Oxford, 1977).
23. M. A. L. Marques, A. Castro, G. F. Bertsch, and A. Rubio, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(02)00686-0 151, 60 (2003).
24. A. Castro, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200642067 243, 2465 (2006). (Pubitemid 44368981)
25. C. Attaccalite, S. Moroni, P. Gori-Giorgi, and G. B. Bachelet, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.256601 88, 256601 (2002).
26. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
27. M. Casula, S. Sorella, and G. Senatore, Phys. Rev. B PHRVAO 1098-0121 10.1103/PhysRevB.74.245427 74, 245427 (2006).
28. L. Shulenburger, M. Casula, G. Senatore, and R. Martin, J. Phys. A PHRVAO 1751-8113 10.1088/1751-8113/42/21/214021 42, 214021 (2009).
29. G. Xianlong, Phys. Rev. B PHRVAO 1098-0121 10.1103/PhysRevB.73.165120 73, 165120 (2006). (Pubitemid 43665289)
30. G. Xianlong, M. Polini, R. Asgari, and M. P. Tosi, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.73.033609 73, 033609 (2006).
31. G. Xianlong and R. Asgari, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.77.033604 77, 033604 (2008). (Pubitemid 351398922)
32. C. -O. Almbladh and U. von Barth, Phys. Rev. B PLRAAN 1098-0121 10.1103/PhysRevB.31.3231 31, 3231 (1985).
33. U. Fano, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.124.1866 124, 1866 (1961).
34. U. Fano and J. W. Cooper, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.40.441 40, 441 (1968).