Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition
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Title
Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 157, Issue 23, Pages 234104
Publisher
AIP Publishing
Online
2022-11-28
DOI
10.1063/5.0127431
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- (2020) Niels Kristian Madsen et al. JOURNAL OF CHEMICAL PHYSICS
- Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
- (2019) Thomas Bondo Pedersen et al. JOURNAL OF CHEMICAL PHYSICS
- Large-scale quantum-dynamics with matrix product states
- (2019) Alberto Baiardi et al. Journal of Chemical Theory and Computation
- Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level
- (2019) Mads Bøttger Hansen et al. JOURNAL OF CHEMICAL PHYSICS
- Ab Initio Nonadiabatic Quantum Molecular Dynamics
- (2018) Basile F. E. Curchod et al. CHEMICAL REVIEWS
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- (2018) Inga S. Ulusoy et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics
- (2018) Takeshi Sato et al. JOURNAL OF CHEMICAL PHYSICS
- On regularizing the MCTDH equations of motion
- (2018) Hans-Dieter Meyer et al. JOURNAL OF CHEMICAL PHYSICS
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- Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction
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- Systematically expanding nondirect product bases within the pruned multi-configuration time-dependent Hartree (MCTDH) method: A comparison with multi-layer MCTDH
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- Real-time time-dependent electronic structure theory
- (2017) Joshua J. Goings et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
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- Quantum dynamics simulations using Gaussian wavepackets: the vMCG method
- (2015) G.W. Richings et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
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- (2015) Jeppe Olsen JOURNAL OF CHEMICAL PHYSICS
- Time-dependent multiconfiguration self-consistent-field method based on the occupation-restricted multiple-active-space model for multielectron dynamics in intense laser fields
- (2015) Takeshi Sato et al. PHYSICAL REVIEW A
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