Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions

Journal of Chemical Physics

Volumn 114, Issue 8, 2001, Pages 3393-3397

  Scheu, C E ^a   Kinghorn, Donald B ^a   Adamowicz, Ludwik ^a  

^a University of Arizona   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; GROUND STATE; HAMILTONIANS; KINETIC ENERGY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; OPTIMIZATION; POTENTIAL ENERGY;

BORN-OPPENHEIMEX CALCULATION; INTERNUCLEAR DISTANCE; LINUX WORKSTATIONS; LITHIUM HYDRIDE; VIRIAL COEFFICIENT;

LITHIUM COMPOUNDS;

EID: 0035249449     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1342757     Document Type: Article

References (9)

1. D. B. Kinghorn and R. D. Poshusta, Int. J. Quantum Chem. 62, 223 (1997).
2. D. B. Kinghorn and L. Adamowicz, Phys. Rev. Lett. 83, 2541 (1999).
3. D. B. Kinghorn and L. Adamowicz, J. Chem. Phys. 113, 4203 (2000).
4. D. B. Kinghorn and L. Adamowicz, J. Chem. Phys. 110, 7166 (1999).
5. G. Audi and A. H. Wapstra, Nucl. Phys. A 565, 1 (1993).
6. S. G. Nash, SIAM (Soc. Ind. Appl. Math.) J. Numer. Anal. 21, 770 (1984).
7. netlib can be accessed by ftp at netlib@ornl.gov and netlib@research.att.com or by World Wide Web access at http:// www.netlib.org.
8. W. Cencek and J. Rychlewski, Chem. Phys. Lett. 320, 549 (2000).
9. Harry Partridge and Stephen R. Langhoff, J. Chem. Phys. 74, 2361 (1980).