Complex configuration mixing method |
| |
Authors: | Milica Pavlović Josip Hendeković |
| |
Institution: | Rudjer Bo?kovi? Institute, Zagreb, Croatia, Yugoslavia |
| |
Abstract: | A method analogous to the configuration interaction scheme, based on the complex molecular orbital (CMO) wavefunction as a zero-order approximation, is developed. The CMO pairing representation is employed to solve problems related to non-orthogonalities characteristic of the CMO method. This complex configuration mixing method may compete with present theories of electronic correlation in molecules. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|