Time-dependent vibrational coupled cluster with variationally optimized time-dependent basis sets
Author:
Affiliation:
1. Department of Chemistry, University of Aarhus, Langelandsgade 140, DK-8000 Aarhus C, Denmark
Funder
Natur og Univers, Det Frie Forskningsråd
Lundbeckfonden
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0024428
Reference51 articles.
1. Vibrational coupled cluster theory
2. Automatic derivation and evaluation of vibrational coupled cluster theory equations
3. Vibrational coupled cluster response theory: A general implementation
4. Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level
5. Towards fast computations of correlated vibrational wave functions: Vibrational coupled cluster response excitation energies at the two-mode coupling level
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3. Quasi-direct Quantum Molecular Dynamics: The Time-Dependent Adaptive Density-Guided Approach for Potential Energy Surface Construction;Journal of Chemical Theory and Computation;2024-01-06
4. Efficient time-dependent vibrational coupled cluster computations with time-dependent basis sets at the two-mode coupling level: Full and hybrid TDMVCC[2];The Journal of Chemical Physics;2023-11-27
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