Time-dependent vibrational coupled cluster with variationally optimized time-dependent basis sets

Madsen, NK; Hansen, MB; Christiansen, O; Zoccante, A

Zoccante, A (corresponding author), Univ Aarhus, Dept Chem, Langelandsgade 140, DK-8000 Aarhus C, Denmark.; Zoccante, A (corresponding author), Univ Piemonte Orienta Amedeo Avogadro, DiSIT, Dipartimento Sci & Innovaz Tecnol, Alessandria, Italy.

JOURNAL OF CHEMICAL PHYSICS, 2020; 153 (17):

Abstract

We develop time-dependent vibrational coupled cluster with time-dependent modals (TDMVCC), where an active set of one-mode basis functions (modals) is......

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