A general implementation of time-dependent vibrational coupled-cluster theory
Author:
Affiliation:
1. Department of Chemistry, University of Aarhus, Langelandsgade 140, DK–8000 Aarhus C, Denmark
Funder
Natur og Univers, Det Frie Forskningsråd
Lundbeckfonden
Danish e-Infrastructure Cooperation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0034013
Reference56 articles.
1. Multiconfiguration time‐dependent Hartree (MCTDH) study on rotational and diffractive inelastic molecule‐surface scattering
2. The effect of a model environment on theS2absorption spectrum of pyrazine: A wave packet study treating all 24 vibrational modes
3. Relaxation of a system with a conical intersection coupled to a bath: A benchmark 24-dimensional wave packet study treating the environment explicitly
4. Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian
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1. Time-dependent coupled cluster with orthogonal adaptive basis functions: General formalism and application to the vibrational problem;The Journal of Chemical Physics;2024-01-08
2. 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
3. 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
4. Time‐dependent coupled‐cluster theory;WIREs Computational Molecular Science;2023-05
5. Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition;The Journal of Chemical Physics;2022-12-21
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