Methylene excitation energies,transition probabilities,and frequency dependent polarizabilities |
| |
Authors: | Jeffrey A Nichols Danny L Yeager |
| |
Institution: | Chemistry Department, Texas A&M University, College Station, Texas 77843, USA |
| |
Abstract: | The electronic structure of the low-lying valence states of the polyatomic free radical methylene (CH2) is investigated at two different geometries using multiconfigurational self-consistent field (MC SCF) and multiconfigurational random phase approximation (MC TDHF MC RPA) techniques. Oscillator strengths and polarizabilities of CH2 are also examined with the MC TDHF MC RPA. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|