Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition
出版年份 2022 全文链接
标题
Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 157, Issue 23, Pages 234104
出版商
AIP Publishing
发表日期
2022-11-28
DOI
10.1063/5.0127431
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Matrix Product State Formulation of the MCTDH Theory in Local Mode Representations for Anharmonic Potentials
- (2022) Kentaro Hino et al. Journal of Chemical Theory and Computation
- Multi-layer Gaussian-based multi-configuration time-dependent Hartree (ML-GMCTDH) simulations of ultrafast charge separation in a donor–acceptor complex
- (2021) Francesco Di Maiolo et al. JOURNAL OF CHEMICAL PHYSICS
- Sequential double ionization of molecules by strong laser fields simulated with time-dependent configuration interaction
- (2021) Paul Hoerner et al. JOURNAL OF CHEMICAL PHYSICS
- Time evolution of ML-MCTDH wavefunctions. I. Gauge conditions, basis functions, and singularities
- (2021) Lachlan P. Lindoy et al. JOURNAL OF CHEMICAL PHYSICS
- Systematic and variational truncation of the configuration space in the multiconfiguration time-dependent Hartree method: The MCTDH[n] hierarchy
- (2020) Niels Kristian Madsen et al. JOURNAL OF CHEMICAL PHYSICS
- Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses
- (2020) Håkon Emil Kristiansen et al. JOURNAL OF CHEMICAL PHYSICS
- SciPy 1.0: fundamental algorithms for scientific computing in Python
- (2020) Pauli Virtanen et al. NATURE METHODS
- Extended vibrational coupled cluster: Stationary states and dynamics
- (2020) Mads Bøttger Hansen et al. JOURNAL OF CHEMICAL PHYSICS
- MR-MCTDH[n]: Flexible Configuration Spaces and Nonadiabatic Dynamics within the MCTDH[n] Framework
- (2020) Niels Kristian Madsen et al. Journal of Chemical Theory and Computation
- Real-Time Time-Dependent Electronic Structure Theory
- (2020) Xiaosong Li et al. CHEMICAL REVIEWS
- Geometry of variational methods: dynamics of closed quantum systems
- (2020) Lucas Hackl et al. SciPost Physics
- A general implementation of time-dependent vibrational coupled-cluster theory
- (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
- The role of the CI expansion length in time-dependent studies
- (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
- Demonstrating that the nonorthogonal orbital optimized coupled cluster model converges to full configuration interaction
- (2018) Rolf H. Myhre JOURNAL OF CHEMICAL PHYSICS
- Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction
- (2018) Wei-Tao Peng et al. Journal of Chemical Theory and Computation
- Matrix product state formulation of the multiconfiguration time-dependent Hartree theory
- (2018) Yuki Kurashige JOURNAL OF CHEMICAL PHYSICS
- Exponential parameterization of wave functions for quantum dynamics: Time-dependent Hartree in second quantization
- (2018) Niels Kristian Madsen et al. JOURNAL OF CHEMICAL PHYSICS
- Systematically expanding nondirect product bases within the pruned multi-configuration time-dependent Hartree (MCTDH) method: A comparison with multi-layer MCTDH
- (2017) Robert Wodraszka et al. JOURNAL OF CHEMICAL PHYSICS
- Dynamical pruning of the multiconfiguration time-dependent Hartree (DP-MCTDH) method: An efficient approach for multidimensional quantum dynamics
- (2017) H. R. Larsson et al. JOURNAL OF CHEMICAL PHYSICS
- Real-time time-dependent electronic structure theory
- (2017) Joshua J. Goings et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Using a pruned, nondirect product basis in conjunction with the multi-configuration time-dependent Hartree (MCTDH) method
- (2016) Robert Wodraszka et al. JOURNAL OF CHEMICAL PHYSICS
- A two-layer approach to the coupled coherent states method
- (2016) James A. Green et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum dynamics simulations using Gaussian wavepackets: the vMCG method
- (2015) G.W. Richings et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Novel methods for configuration interaction and orbital optimization for wave functions containing non-orthogonal orbitals with applications to the chromium dimer and trimer
- (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
- Two methods for restricted configuration spaces within the multiconfiguration time-dependent Hartree-Fock method
- (2015) Daniel J. Haxton et al. PHYSICAL REVIEW A
- Time-dependent restricted-active-space self-consistent-field singles method for many-electron dynamics
- (2014) Haruhide Miyagi et al. JOURNAL OF CHEMICAL PHYSICS
- Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics. II. Extended formulation and numerical analysis
- (2014) Haruhide Miyagi et al. PHYSICAL REVIEW A
- Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
- (2014) S. Bauch et al. PHYSICAL REVIEW A
- Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics
- (2013) Haruhide Miyagi et al. PHYSICAL REVIEW A
- Time-dependent complete-active-space self-consistent-field method for multielectron dynamics in intense laser fields
- (2013) Takeshi Sato et al. PHYSICAL REVIEW A
- Ab initio quantum dynamics using coupled-cluster
- (2012) Simen Kvaal JOURNAL OF CHEMICAL PHYSICS
- Time-dependent restricted-active-space configuration-interaction method for the photoionization of many-electron atoms
- (2012) David Hochstuhl et al. PHYSICAL REVIEW A
- A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states
- (2011) R. P. Miranda et al. JOURNAL OF CHEMICAL PHYSICS
- Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics
- (2011) Christian Huber et al. JOURNAL OF CHEMICAL PHYSICS
- Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon–Heiles Hamiltonian and to pyrazine
- (2011) Oriol Vendrell et al. JOURNAL OF CHEMICAL PHYSICS
- Numerically exact quantum dynamics for indistinguishable particles: The multilayer multiconfiguration time-dependent Hartree theory in second quantization representation
- (2009) Haobin Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine
- (2008) I. Burghardt et al. JOURNAL OF CHEMICAL PHYSICS
- A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
- (2008) Uwe Manthe JOURNAL OF CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now