Calculation of diabatic states from molecular properties
- 28 August 1978
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 11 (16) , L489-L492
- https://doi.org/10.1088/0022-3700/11/16/003
Abstract
Presents a formal analysis of the variation of molecular properties in the vicinity of an avoided crossing. It is shown that the crossing can be characterised by a molecular property; the conditions which that property should meet are indicated. A method of considerably reducing radial couplings and obtaining diabatic wavefunctions have been developed. An explicit example is presented to illustrate the method.Keywords
This publication has 3 references indexed in Scilit:
- Molecular treatment of elastic and double charge-exchange He2+-He collisionsJournal of Physics B: Atomic and Molecular Physics, 1978
- Calculation of radial couplings between approximate wavefunctions in atomic collisions. IIJournal of Physics B: Atomic and Molecular Physics, 1978
- Calculation of radial couplings between approximate wavefunctions in atomic collisionsJournal of Physics B: Atomic and Molecular Physics, 1977