Testing the multi-configuration time-dependent Hartree-Fock method

作者: Jürgen Zanghellini , Markus Kitzler , Thomas Brabec , Armin Scrinzi

DOI: 10.1088/0953-4075/37/4/004

关键词: Post-Hartree–FockFock spaceQuantum mechanicsSemi-empirical quantum chemistry methodPhysicsMulti-configurational self-consistent fieldPopulationUnrestricted Hartree–FockIonizationMulti-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-…

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