Bipolar Expansion for r12nYlm(θ12, φ12)
- 15 September 1969
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 51 (6) , 2363-2367
- https://doi.org/10.1063/1.1672353
Abstract
Explicit formulas for the radial functions V l 1 l 2 l 3 l (n) (r 1 , r 2 , R) in the bipolar expansion for r 12 n Y l m (θ 12 , φ 12 ) , r 12 n Y l m (θ 12 , φ 12 ) = Σ(2λ + 1) 1/2 (2l 3 + 1) 1/2 c λ ( l 1 m 1 )c 3 l (λ, m − m 1 ; l 2 m 2 ) × Y l 1 m 1 (θ 1 , φ 1 )Y l 2 m 2 (θ 2 ,φ 2 ) Y l3 m−m 1 −m 2 (θ R , φ R )V l 1 l 2 l 3 l (n) (r 1 , r 2 , R) , where r 12 = r 1 − r 2 − R , are derived with the use of the theory of generalized functions and Fourier transforms. When n ≤ − 4 and n − l is odd, there are delta‐function terms. In this approach the delta‐function terms and the four‐region form of the expansion are obtained from a single, unified formula valid in all regions. Recurrence formulas for the V l 1 l 2 l 3 l (n) are given.Keywords
This publication has 11 references indexed in Scilit:
- Comments on the Convergence Properties Observed by H. J. Silverstone and K. G. KayThe Journal of Chemical Physics, 1969
- New Aspects of the Bipolar Expansion and Molecular Multicenter IntegralsThe Journal of Chemical Physics, 1968
- Expansions in Spherical Harmonics. IV. Integral Form of the Radial DependenceJournal of Mathematical Physics, 1967
- Bipolare Entwicklungen, Fouriertransformation und Molekulare Mehrzentren-IntegraleTheoretical Chemistry Accounts, 1967
- Bipolar Expansion of Screened Coulomb Potentials, Helmholtz' Solid Harmonics, and their Addition TheoremsJournal of Mathematical Physics, 1966
- Irreducible Tensor Expansion of Solid Spherical Harmonic-Type Operators in Quantum MechanicsJournal of Mathematical Physics, 1964
- Two-Center Expansion for the Powers of the Distance Between Two PointsJournal of Mathematical Physics, 1964
- Bipolar Expansion of Coulombic Potentials. AddendaPhysical Review B, 1952
- Bipolar Expansion of Coulombic PotentialsPhysical Review B, 1951
- On the expansion of a Coulomb potential in spherical harmonicsMathematical Proceedings of the Cambridge Philosophical Society, 1950