Inherent restrictions of the Hylleraas-Undheim-MacDonald higher roots, and minimization functionals at the excited states

Journal of Computational Methods in Sciences and Engineering

Volumn 8, Issue 4-6, 2008, Pages 277-285

  Bacalis, N C ^a   Xiong, Z ^b   Karaoulanis, D ^c  

^a THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

^b SOUTHEAST UNIVERSITY   (China)

^c NONE   (Greece)

Author keywords

Excited states; Variational minimization

Indexed keywords

COMPUTATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; HAMILTONIANS;

CRUDE APPROXIMATIONS; FUNCTIONALS; LOCAL MINIMUMS; SADDLE POINT; SECULAR EQUATIONS;

EXCITED STATES;

EID: 62249158410     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2008-84-605     Document Type: Article

References (9)

1. E. Hylleraas and B. Undheim, Z Phys 65 (1930), 759;
2. J.K.L. McDonald, Phys Rev 43 (1933), 830.
3. C. Eckart, Phys Rev 36 (1930), 878.
4. N.C. Bacalis, arXiv:0809.3826v1 [physics.chem-ph];
5. arXiv:0801.3673v1 quant-ph
6. Z. Xiong and N.C. Bacalis, Commun Math Comp Chem 53 (2005), 283;
7. Chinese Phys 15 (2006), 992;
8. Z. Xiong, M. Velgakis and N.C. Bacalis, Int J Q Chem 104 (2005), 418.
9. C. Froese Fischer, T. Brage and P. Jönsson, Computational Atomic Structure An MCHF Approach, Institute of Physics Publishing, Bristol, 1997, pp. 92-96.