Semiclassical self-consistent-field method for reactive resonances
โ Scribed by Bruce C. Garrett; Donald G. Truhlar
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 471 KB
- Volume
- 92
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Using the Breit-Wigner definition of a resonance, we calculate both resonance positions and widths for a model nonseparable hamiltonian. using a uniform semiclassical self-consistent-field (SCF) method. Excellent agreement with recent comples-coordinate quantum SCF calculations is obtained
A recently developed perturbation theory for solving self-consistent field equations is applied to the hydrogen atom in a strong magnetic field. This system has been extensively studied using other methods and is therefore a good test case for the new method. The perturbation theory yields summable
A method usmg tmear combmations oi success1vc elgcnvcctors bx,cd on cncrgy mmlmlzatlon IS prcscntcd ior convcrgmg sclf-conmtcnt-field lterations It IS apphcd to a number ofdncrgcnt or poorly convegcnt ctamplcs in scmlrmpuiul CNDO, INDO, and ab itwo STO-3C calculations\_TheCND0/3 rcsulis are compared