On the systematic improvement of fixed-node diffusion quantum Monte Carlo energies using pair natural orbital Cl guide functions

Journal of Chemical Physics

Volumn 113, Issue 19, 2000, Pages 8457-8463

  Lüchow, Arne ^a   Fink, Reinhold F ^b,c  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b UPPSALA UNIVERSITY   (Sweden)

^c LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DIFFUSION; ERROR CORRECTION; GROUND STATE; HYDROGEN INORGANIC COMPOUNDS; MONTE CARLO METHODS; NITROGEN; QUANTUM THEORY; STATISTICAL MECHANICS;

DIFFUSION QUANTUM MONTE CARLO (DQMC) METHOD; WAVE FUNCTIONS;

PHYSICAL CHEMISTRY;

EID: 0038207573     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (7)

1. A. Lüchow and J. B. Anderson, Annu. Rev. Phys. Chem. 51, 501 (2000).
2. J. B. Anderson, Rev. Comput. Chem. 13, 133 (1999).
3. D. M. Ceperley and L. Mitas, Adv. Chem. Phys. 93, 1 (1996).
4. J. B. Anderson, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Kluwer, Dordrecht, 1995).
5. J. B. Anderson, Int. Rev. Phys. Chem. 14, 85 (1995).
6. L. Mitas, in Electronic Properties of Solids Using Cluster Methods, edited by T. A. Kaplan and S. D. Mahanti (Plenum, New York, 1995).
7. B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry (World Scientific, Singapore, 1994).