Born—Oppenheimer Separation for Three-Particle Systems. II. Two-Center Wavefunctions
- 15 March 1967
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 46 (6) , 2146-2152
- https://doi.org/10.1063/1.1841016
Abstract
Semianalytic solutions of the Schrödinger equation for the motion of a particle in the static Coulomb field of two other particles are derived in a form suitable for numerical evaluation of the expansion coefficients on an electronic computer. Relevant mathematical aspects and the numerical methods are described. Tables of two‐center wavefunctions are made available through the American Documentation Institute. An Appendix describes some ``dynamic scaling'' procedures, designed to facilitate Gaussian elimination and bisection where large‐order matrices are involved.Keywords
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