作者: Jürgen Zanghellini , Markus Kitzler , Thomas Brabec , Armin Scrinzi
DOI: 10.1088/0953-4075/37/4/004
关键词: Post-Hartree–Fock 、 Fock space 、 Quantum mechanics 、 Semi-empirical quantum chemistry method 、 Physics 、 Multi-configurational self-consistent field 、 Population 、 Unrestricted Hartree–Fock 、 Ionization 、 Multi-configuration time-dependent Hartree
摘要: … the multi-configuration time-dependent Hartree–Fock (MCTDHF) method [18]. In contrast to standard multi-configuration … Our implementation is based on the multi-configuration time-…