검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene Boggio-Pasqua M, Bearpark MJ, Klene M, Robb MA Journal of Chemical Physics, 120(17), 7849, 2004 |
| 2 |
A new efficient approach to the direct restricted active space self-consistent field method Klene M, Robb MA, Blancafort L, Frisch MJ Journal of Chemical Physics, 119(2), 713, 2003 |
| 3 |
Parallel implementation of the CI-vector evaluation in full CI/CAS-SCF Klene M, Robb MA, Frisch MJ, Celani P Journal of Chemical Physics, 113(14), 5653, 2000 |