[A204-4am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[A204-4am-08] Development of reduced-scaling multi-reference perturbation theory using localized virtual molecular orbitals: LVMO-PNO-CASPT2 Theory

^○Kazuma Uemura¹, Takeshi Yanai¹, Masaaki Saitow¹ (1. Nagoya University)

[Lang.] Japanese

Keywords:Multi-reference perturbation theory, Correlation energy, Complete-active space self-consistent field, Perturbation theory