A general automatic method for optimal construction of matrix product operators using bipartite graph theory
出版年份 2020 全文链接
标题
A general automatic method for optimal construction of matrix product operators using bipartite graph theory
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 153, Issue 8, Pages 084118
出版商
AIP Publishing
发表日期
2020-08-28
DOI
10.1063/5.0018149
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- (2020) Weitang Li et al. JOURNAL OF CHEMICAL PHYSICS
- The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges
- (2020) Alberto Baiardi et al. JOURNAL OF CHEMICAL PHYSICS
- Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain
- (2020) Jan Brandejs et al. JOURNAL OF CHEMICAL PHYSICS
- Finite Temperature Dynamical Density Matrix Renormalization Group for Spectroscopy in Frequency Domain
- (2020) Tong Jiang et al. Journal of Physical Chemistry Letters
- Finite-Temperature TD-DMRG for the Carrier Mobility of Organic Semiconductors
- (2020) Weitang Li et al. Journal of Physical Chemistry Letters
- Ultrafast ab Initio Quantum Chemistry Using Matrix Product States
- (2019) Lars-Hendrik Frahm et al. Journal of Chemical Theory and Computation
- Optimization of highly excited matrix product states with an application to vibrational spectroscopy
- (2019) Alberto Baiardi 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
- Computing vibrational eigenstates with tree tensor network states (TTNS)
- (2019) Henrik R. Larsson JOURNAL OF CHEMICAL PHYSICS
- Time-dependent density matrix renormalization group quantum dynamics for realistic chemical systems
- (2019) Xiaoyu Xie et al. JOURNAL OF CHEMICAL PHYSICS
- Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach
- (2018) Emil Lund Klinting et al. JOURNAL OF CHEMICAL PHYSICS
- T3NS: Three-Legged Tree Tensor Network States
- (2018) Klaas Gunst et al. Journal of Chemical Theory and Computation
- Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method
- (2018) Yao Yao et al. Journal of Physical Chemistry Letters
- Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature
- (2018) Jiajun Ren et al. Journal of Chemical Theory and Computation
- Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave Function
- (2018) Zhen Luo 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
- Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio Hamiltonians
- (2017) Enrico Ronca et al. Journal of Chemical Theory and Computation
- Spin-Projected Matrix Product States: Versatile Tool for Strongly Correlated Systems
- (2017) Zhendong Li et al. Journal of Chemical Theory and Computation
- Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics
- (2017) Samuel M. Greene et al. Journal of Chemical Theory and Computation
- Second-Order Self-Consistent-Field Density-Matrix Renormalization Group
- (2017) Yingjin Ma et al. Journal of Chemical Theory and Computation
- Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States
- (2017) Takeshi Yanai et al. Journal of Chemical Theory and Computation
- Vibrational Density Matrix Renormalization Group
- (2017) Alberto Baiardi et al. Journal of Chemical Theory and Computation
- Finding Matrix Product State Representations of Highly Excited Eigenstates of Many-Body Localized Hamiltonians
- (2017) Xiongjie Yu et al. PHYSICAL REVIEW LETTERS
- Py SCF: the Python-based simulations of chemistry framework
- (2017) Qiming Sun et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra
- (2016) Marat Sibaev et al. COMPUTER PHYSICS COMMUNICATIONS
- Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms
- (2016) Garnet Kin-Lic Chan et al. JOURNAL OF CHEMICAL PHYSICS
- Calculating vibrational spectra of molecules using tensor train decomposition
- (2016) Maxim Rakhuba et al. JOURNAL OF CHEMICAL PHYSICS
- Inner Space Perturbation Theory in Matrix Product States: Replacing Expensive Iterative Diagonalization
- (2016) Jiajun Ren et al. Journal of Chemical Theory and Computation
- An efficient matrix product operator representation of the quantum chemical Hamiltonian
- (2015) Sebastian Keller et al. JOURNAL OF CHEMICAL PHYSICS
- Excited-State Geometry Optimization with the Density Matrix Renormalization Group, as Applied to Polyenes
- (2015) Weifeng Hu et al. Journal of Chemical Theory and Computation
- The PyPES library of high quality semi-global potential energy surfaces
- (2015) Marat Sibaev et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Exciton–vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates
- (2015) M. Schröter et al. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
- Multi-layer Potfit: An accurate potential representation for efficient high-dimensional quantum dynamics
- (2014) Frank Otto JOURNAL OF CHEMICAL PHYSICS
- Linear response theory for the density matrix renormalization group: Efficient algorithms for strongly correlated excited states
- (2014) Naoki Nakatani et al. JOURNAL OF CHEMICAL PHYSICS
- Multi-reference vibration correlation methods
- (2014) Florian Pfeiffer et al. JOURNAL OF CHEMICAL PHYSICS
- A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels
- (2014) Thibault Delahaye et al. JOURNAL OF CHEMICAL PHYSICS
- A second-order multi-reference perturbation method for molecular vibrations
- (2013) Wataru Mizukami et al. JOURNAL OF CHEMICAL PHYSICS
- The multigrid POTFIT (MGPF) method: Grid representations of potentials for quantum dynamics of large systems
- (2013) Daniel Peláez et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient tree tensor network states (TTNS) for quantum chemistry: Generalizations of the density matrix renormalization group algorithm
- (2013) Naoki Nakatani et al. JOURNAL OF CHEMICAL PHYSICS
- Solving the Schroedinger equation using Smolyak interpolants
- (2013) Gustavo Avila et al. JOURNAL OF CHEMICAL PHYSICS
- Permutation invariant polynomial neural network approach to fitting potential energy surfaces
- (2013) Bin Jiang et al. JOURNAL OF CHEMICAL PHYSICS
- Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation
- (2013) Vincenzo Barone et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Thouless theorem for matrix product states and subsequent post density matrix renormalization group methods
- (2013) Sebastian Wouters et al. PHYSICAL REVIEW B
- Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach
- (2012) Mamadou Ndong et al. JOURNAL OF CHEMICAL PHYSICS
- Selected new developments in vibrational structure theory: potential construction and vibrational wave function calculations
- (2012) Ove Christiansen PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The Density Matrix Renormalization Group in Quantum Chemistry
- (2011) Garnet Kin-Lic Chan et al. Annual Review of Physical Chemistry
- Toward anharmonic computations of vibrational spectra for large molecular systems
- (2011) Vincenzo Barone et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Tensor-Train Decomposition
- (2011) I. V. Oseledets SIAM JOURNAL ON SCIENTIFIC COMPUTING
- The density-matrix renormalization group in the age of matrix product states
- (2010) Ulrich Schollwöck ANNALS OF PHYSICS
- Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach
- (2009) Fabien Gatti et al. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
- Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method
- (2008) Loïc Joubert Doriol 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
- Finite automata for caching in matrix product algorithms
- (2008) Gregory M. Crosswhite et al. PHYSICAL REVIEW A
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