An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory
出版年份 2016 全文链接
标题
An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 144, Issue 20, Pages 204111
出版商
AIP Publishing
发表日期
2016-05-27
DOI
10.1063/1.4951684
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。- The In-Medium Similarity Renormalization Group: A novel ab initio method for nuclei
- (2016) H. Hergert et al. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
- The ab-initio density matrix renormalization group in practice
- (2015) Roberto Olivares-Amaya et al. JOURNAL OF CHEMICAL PHYSICS
- Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis
- (2015) Chenyang Li et al. Journal of Chemical Theory and Computation
- The density matrix renormalization group for ab initio quantum chemistry
- (2014) Sebastian Wouters et al. EUROPEAN PHYSICAL JOURNAL D
- Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure
- (2014) Marcel Nooijen et al. JOURNAL OF CHEMICAL PHYSICS
- A driven similarity renormalization group approach to quantum many-body problems
- (2014) Francesco A. Evangelista JOURNAL OF CHEMICAL PHYSICS
- Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation
- (2014) Nicholas J. Mayhall et al. JOURNAL OF CHEMICAL PHYSICS
- Ab initiomultireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes
- (2014) H. Hergert et al. PHYSICAL REVIEW C
- Analytical energy gradients for second-order multireference perturbation theory using density fitting
- (2013) Werner Győrffy et al. JOURNAL OF CHEMICAL PHYSICS
- General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: Theory and benchmarks
- (2013) Evgeny Epifanovsky et al. JOURNAL OF CHEMICAL PHYSICS
- Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers
- (2013) Soohaeng Yoo Willow et al. Journal of Chemical Theory and Computation
- Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian
- (2013) A. Eugene DePrince et al. Journal of Chemical Theory and Computation
- Second-Order Many-Body Perturbation Theory: An Eternal Frontier
- (2013) So Hirata et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes
- (2012) Jiří Brabec et al. CHEMICAL PHYSICS LETTERS
- The chemistry of localized singlet 1,3-diradicals (biradicals): from putative intermediates to persistent species and unusual molecules with a π-single bonded character
- (2012) Manabu Abe et al. CHEMICAL SOCIETY REVIEWS
- Stochastic evaluation of second-order many-body perturbation energies
- (2012) Soohaeng Yoo Willow et al. JOURNAL OF CHEMICAL PHYSICS
- Multireference equation-of-motion coupled cluster theory
- (2012) Dipayan Datta et al. JOURNAL OF CHEMICAL PHYSICS
- Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: Theory and test calculations of second order approximation
- (2012) Zhenhua Chen et al. JOURNAL OF CHEMICAL PHYSICS
- Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems
- (2012) Daniel Neuhauser et al. Journal of Chemical Theory and Computation
- In-medium similarity renormalization group for open-shell nuclei
- (2012) K. Tsukiyama et al. PHYSICAL REVIEW C
- Generalized antisymmetric ordered products, generalized normal ordered products, ordered and ordinary cumulants and their use in many electron correlation problem
- (2012) Debalina Sinha et al. Computational and Theoretical Chemistry
- Massively parallel implementation of the multireference Brillouin–Wigner CCSD method
- (2011) Jiří Brabec et al. CHEMICAL PHYSICS LETTERS
- Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics
- (2011) David A. Mazziotti CHEMICAL REVIEWS
- A perspective on the CASPT2 method
- (2011) Peter Pulay INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- A state-specific partially internally contracted multireference coupled cluster approach
- (2011) Dipayan Datta et al. JOURNAL OF CHEMICAL PHYSICS
- Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer
- (2011) Yuki Kurashige et al. JOURNAL OF CHEMICAL PHYSICS
- In-Medium Similarity Renormalization Group For Nuclei
- (2011) K. Tsukiyama et al. PHYSICAL REVIEW LETTERS
- Psi4: an open-source ab initio electronic structure program
- (2011) Justin M. Turney et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- The ORCA program system
- (2011) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
- (2010) M. Valiev et al. COMPUTER PHYSICS COMMUNICATIONS
- A coupled-cluster approach to the many-body perturbation theory for open-shell systems
- (2010) Ingvar Lindgren INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Theoretical models incorporating electron correlation
- (2010) John A. Pople et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- An algebraic proof of generalized Wick theorem
- (2010) Liguo Kong et al. JOURNAL OF CHEMICAL PHYSICS
- Strongly contracted canonical transformation theory
- (2010) Eric Neuscamman et al. JOURNAL OF CHEMICAL PHYSICS
- Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes
- (2010) Edward G. Hohenstein et al. JOURNAL OF CHEMICAL PHYSICS
- Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
- (2010) Jonas Boström et al. Journal of Chemical Theory and Computation
- Multireference perturbation theory can predict a false ground state
- (2010) Cristopher Camacho et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Energetics of naphthynes — Performance of reduced multi-reference coupled-cluster methods for diradicals
- (2009) Xiangzhu Li et al. CANADIAN JOURNAL OF CHEMISTRY
- How many-body perturbation theory (MBPT) has changed quantum chemistry
- (2009) Werner Kutzelnigg INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach
- (2009) K. R. Shamasundar JOURNAL OF CHEMICAL PHYSICS
- Comparative study of multireference perturbative theories for ground and excited states
- (2009) Mark R. Hoffmann et al. JOURNAL OF CHEMICAL PHYSICS
- Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
- (2009) Francesco Aquilante et al. JOURNAL OF CHEMICAL PHYSICS
- Approximated electron repulsion integrals: Cholesky decomposition versus resolution of the identity methods
- (2009) Florian Weigend et al. JOURNAL OF CHEMICAL PHYSICS
- Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria
- (2009) Bernd Doser et al. JOURNAL OF CHEMICAL PHYSICS
- State specific equation of motion coupled cluster method in general active space
- (2009) Liguo Kong et al. JOURNAL OF CHEMICAL PHYSICS
- A study of cumulant approximations to n-electron valence multireference perturbation theory
- (2009) Dominika Zgid et al. JOURNAL OF CHEMICAL PHYSICS
- RECENT APPLICATIONS OF ARYNE CHEMISTRY TO ORGANIC SYNTHESIS. A REVIEW
- (2009) Roberto Sanz ORGANIC PREPARATIONS AND PROCEDURES INTERNATIONAL
- A companion perturbation theory for state-specific multireference coupled cluster methods
- (2009) Francesco A. Evangelista et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Evolution of Nuclear Many-Body Forces with the Similarity Renormalization Group
- (2009) E. D. Jurgenson et al. PHYSICAL REVIEW LETTERS
- An extended multireference study of the electronic states of para-benzyne
- (2008) Evan B. Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate ab initio density fitting for multiconfigurational self-consistent field methods
- (2008) Francesco Aquilante et al. JOURNAL OF CHEMICAL PHYSICS
- Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato)(NPh)
- (2008) Francesco Aquilante et al. Journal of Chemical Theory and Computation
- Intruder states in multireference perturbation theory: The ground state of manganese dimer
- (2008) Cristopher Camacho et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started