The use of explicitly correlated, partially antisymmetric wave functions in atomic and molecular calculations
โ Scribed by Jack Simons
- Publisher
- John Wiley and Sons
- Year
- 1972
- Tongue
- English
- Weight
- 530 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Molecular dynamics [l-S] produces particle trajectories for a.tomic and molecuiar fluids and solids. Time-displaced autocorrelation functions calculated from these trajectoreis are used to study a host of transport, relaxation and light scattering processes [6,7]. The autocorrelation function C(t) o
## Abstract A relation between the cluster expansion theory of many electron wave functions and the correlated wave functions method is established. In this way, the theoretical basis of the method is elucidated and the approximations involved in its application become apparent. General forms of th
Scvcral cuamplrs UC presented IO show that esllmarcd thud-order MgUcr-Plcwt (hlP3) relative cncrgics obtained horn schcmcs which assume addwwty of corrclz~t~on and poluization function &ccts arc kcly lo pro&k lhc most rcbblc energy compznsons III cxcs whrrc full MP3 c&xdations wtlh polvizstlon bssls