Quantum chemistry using the density matrix renormalization group II

Journal of Chemical Physics

Volumn 119, Issue 8, 2003, Pages 4148-4158

  Mitrushenkov, A O ^a   Linguerri, Roberto ^a   Palmieri, Paolo ^a   Fano, Guido ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; CHEMISTRY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; EXTRAPOLATION; HAMILTONIANS; MATRIX ALGEBRA;

DENSITY MATRIX RENORMALIZATION GROUP; ORBITAL BLOCKS; ORBITAL LOCALIZATION; QUANTUM CHEMISTRY;

QUANTUM THEORY;

EID: 0041880364     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1593627     Document Type: Article

References (28)

1. S. R. White, Phys. Rev. Lett. 69, 2863 (1992).
2. S. R. White and R. M. Noack, Phys. Rev. Lett. 68, 3487 (1992).
3. S. R. White, Phys. Rev. B 48, 10345 (1993).
4. K. G. Wilson, Rev. Mod. Phys. 55, 583 (1983).
5. K. G. Wilson, Rev. Mod. Phys. 47, 773 (1975).
6. G. Fano, F. Ortolani, and L. Ziosi, J. Chem. Phys. 108, 9246 (1998).
7. G. L. Bendazzoli, S. Evangelisti, G. Fano, F. Ortolani, and L. Ziosi, J. Chem. Phys. 110, 1277 (1999).
8. S. R. White and R. L. Martin, J. Chem. Phys. 110, 4127 (1999).
9. S. Daul, I. Ciofini, C. Daul, and S. R. White, Int. J. Quantum Chem. 79, 331 (2000).
10. A. O. Mitrushenkov, G. Fano, F. Ortolani, R. Linguerri, and P. Palmieri, J. Chem. Phys. 115, 6815 (2001).
11. G. Kin-Lic Chan and M. Head-Gordon, J. Chem. Phys. 116, 4462 (2002).
12. Ö. Legeza, J. Röder, and B. A. Hess, 2002, cond-mat. 0208187.
13. G. Kin-Lic Chan and M. Head-Gordon, J. Chem. Phys. 118, 8551 (2003).
14. C. Zhang, E. Jeckelmann, and S. R. White, Phys. Rev. Lett. 80, 2661 (1998).
15. A. O. Mitrushenkov, DYCI program package, Universities of Bologna and St. Petersburg.
16. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
17. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
18. MOLPRO is a package of ab initio programs designed by H.-J. Werner and P. J. Knowles. The authors are R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nickla, P. Palmieri, R. Pitzer, G. Rauhut, M. Schtz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, and H.-J. Werner.
19. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
20. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 94, 1264 (1991).
21. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934).
22. S. F. Boys, Quantum Science of Atoms, Molecules, and Solids, edited by P. O. Lowdin (Academic, New York, 1966), pp. 253-262.
23. P. Palmieri, R. Tarroni, and S. Rettrup, J. Chem. Phys. 100, 5849 (1994).
24. P. Palmieri, R. Tarroni, A. O. Mitrushenkov, and S. Rettrup, J. Chem. Phys. 109, 7085 (1998).
25. B. Huron, J. P. Malrieu, and P. Rancurel, J. Chem. Phys. 58, 5745 (1973).
26. J. L. Whitten and M. Hackmeyer, J. Chem. Phys. 51, 5584 (1969).
27. R. J. Buenker and S. D. Peyerimhoff, Theor. Chim. Acta 12, 183 (1968).
28. K. Andersson and B. O. Roos, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), Part I, Vol. 9128, p. 55.