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physics.chem-ph2022★ 25 cited
Ground- and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality
Yann Damour, Raúl Quintero-Monsebaiz, Michel Caffarel +4
We report ground- and excited-state dipole moments and oscillator strengths (computed in different ``gauges'' or representations) of full configuration interaction (FCI) quality us…
physics.chem-ph2022
Hierarchy Configuration Interaction: Combining Seniority Number and Excitation Degree
Fábris Kossoski, Yann Damour, Pierre-François Loos
We propose a novel partitioning of the Hilbert space, hierarchy configuration interaction (hCI), where the excitation degree (with respect to a given reference determinant) and the…