posted on 2024-06-24, 04:05authored byRyusei Nishimura, Takeshi Yoshikawa, Ken Sakata, Hiromi Nakai
SA. Excited states (S1-S5) of ethylene, hydrogen molecule, ammonia, and pyridazine calculated by the TDHF and TDCPHF methods
SB. λ-dependency of the amplitudes
SC. Buffer-size dependency of DC-TDCPHF/DFT calculations
SD. DC-TDCPHF result of the push-pull polyene
SE. Structure of the phenol-water system
SF. Complete molecular orbitals of the phenol-water system