Two-Center Wavefunctions for ABHn Systems. Illustrative Calculations on H3+ and H3
- 1 September 1964
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 41 (5) , 1370-1376
- https://doi.org/10.1063/1.1726075
Abstract
Two‐center wavefunctions are constructed for linear H3+ and H3 and for triangular (equilateral) H3+ using a basis set of generalized elliptical orbitals. The results are encouraging and possible future applications of the method are discussed.Keywords
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