Direct determination of multipole moments of Cartesian Gaussian functions in spherical polar coordinates

Journal of Chemical Physics

Volumn 120, Issue 8, 2004, Pages 3535-3543

  Choi, Cheol Ho ^a  

^a Kyungpook National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; FUNCTIONS; HARMONIC ANALYSIS; INTEGRAL EQUATIONS; LAPLACE TRANSFORMS; OPTIMIZATION; POLYNOMIALS; SET THEORY; TENSORS; VECTORS;

FAST MULTIPOLE METHODS (FMM); POLAR COORDINATES;

QUANTUM THEORY;

EID: 1642601831     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1642597     Document Type: Article

References (11)

1. L. F. Greengard, The Rapid Evaluation of Potential Fields in Particle Systems (MIT, Cambridge, MA, 1987).
2. S. Obara and A. Saika, J. Chem. Phys. 84, 3963 (1986).
3. J. M. Pérez-Jordá and W. Yang, J. Chem. Phys. 107, 1218 (1997).
4. E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra (Cambridge University Press, Cambridge, 1951).
5. Eq. (65.21) of Chapter 3 by H. Bethe in Volume 24/1 (Quantentheorie) of the Handbuch der Physik, edited by H. Geiger and K. Scheel (Springer, Berlin, 1933).
6. C. H. Choi, K. Ruedenberg, and M. S. Gordon, J. Comput. Chem. 22, 1484 (2001).
7. A. J. Stone, Chem. Phys. Lett. 83, 233 (1981).
8. (a) C. White and M. Head-Gordon, J. Chem. Phys. 101, 6593 (1994)
9. (b) Chem. Phys. Lett. 257, 647 (1996)
10. (c) J. Chem. Phys. 105, 5061 (1996)
11. (d) C. H. Choi, J. Ivanic, M. S. Gordon, and K. Ruedenberg, J. Chem. Phys. 111, 8825 (1999).