Relativistic scheme for eliminating small components Hamiltonian: Analysis of approximations

Journal of Chemical Physics

Volumn 113, Issue 10, 2000, Pages 4003-4007

  Barysz, Maria ^a  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONS; IONIZATION; MATRIX ALGEBRA; WAVE EQUATIONS;

DIRAC'S EQUATION; FOLDY-WOUTHUYSEN (FW) TRANSFORMATION; RELATIVISTIC SCHEME BY ELIMINATING SMALL COMPONENTS (RESC) METHOD;

QUANTUM THEORY;

EID: 0034622743     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1286807     Document Type: Article

References (12)

1. T. Nakajima and K. Hirao, Chem. Phys. Lett. 302, 383 (199).
2. R. E. Moss, Advanced Molecular Quantum Mechanics (Chapman and Hall, London, 1973).
3. L. L. Foldy and S. A. Wouthuysen, Phys. Rev. 78, 29 (1950).
4. M. Barysz, A. J. Sadlej, and J. G. Snijders, Int. J. Quantum Chem. 65, 225 (1997).
5. See, e.g., K. G. Dyall and E. van Lenthe, J. Chem. Phys. 111, 1366 (1999).
6. A. J. Sadlej and J. G. Snijders, Chem. Phys. Lett. 229, 435 (1994).
7. B. A. Hess, Phys. Rev. A 32, 756 (1985).
8. B. A. Hess, Habilitationsschrift (University of Wuppertal Press, Wuppertal, Germany, 1986); M. Barysz (unpublished results).
9. B. A. Hess, Habilitationsschrift (University of Wuppertal Press, Wuppertal, Germany, 1986); M. Barysz (unpublished results).
10. B. A. Hess, Phys. Rev. A 33, 3742 (1986).
11. A. Pizlo, G. Jansen, B. A. Heß, and W. von Niessen, J. Chem. Phys. 98, 3945 (1993).
12. O. Gropen, J. Comput. Chem. 8, 982 (1987).