Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators
Published 2016 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 144, Issue 16, Pages 164114
Publisher
AIP Publishing
Online
2016-04-28
DOI
10.1063/1.4947218
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- 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
- Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster Theory
- (2015) Lee M. J. Huntington et al. Journal of Chemical Theory and Computation
- Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis
- (2015) Chenyang Li et al. Journal of Chemical Theory and Computation
- Analytic energy gradient for the projected Hartree–Fock method
- (2014) Roman Schutski et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- Additional global internal contraction in variations of multireference equation of motion coupled cluster theory
- (2013) Ondřej Demel et al. JOURNAL OF CHEMICAL PHYSICS
- In-medium similarity renormalization group with chiral two- plus three-nucleon interactions
- (2013) H. Hergert et al. PHYSICAL REVIEW C
- Ab InitioCalculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions
- (2013) H. Hergert et al. PHYSICAL REVIEW LETTERS
- 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
- Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory
- (2012) Matthias Hanauer et al. JOURNAL OF CHEMICAL PHYSICS
- A sequential transformation approach to the internally contracted multireference coupled cluster method
- (2012) Francesco A. Evangelista et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- State-specific multireference coupled-cluster theory
- (2012) Andreas Köhn et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- On the approximation of the similarity-transformed Hamiltonian in single-reference and multireference coupled cluster theory
- (2011) Francesco A. Evangelista et al. CHEMICAL PHYSICS
- Meaning and magnitude of the reduced density matrix cumulants
- (2011) Matthias Hanauer et al. CHEMICAL PHYSICS
- Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics
- (2011) David A. Mazziotti CHEMICAL REVIEWS
- Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
- (2011) Péter G. Szalay et al. CHEMICAL REVIEWS
- A state-specific partially internally contracted multireference coupled cluster approach
- (2011) Dipayan Datta et al. JOURNAL OF CHEMICAL PHYSICS
- Pilot applications of internally contracted multireference coupled cluster theory, and how to choose the cluster operator properly
- (2011) Matthias Hanauer et al. JOURNAL OF CHEMICAL PHYSICS
- An orbital-invariant internally contracted multireference coupled cluster approach
- (2011) Francesco A. Evangelista 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
- Molpro: a general-purpose quantum chemistry program package
- (2011) Hans-Joachim Werner et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- A coupled-cluster approach to the many-body perturbation theory for open-shell systems
- (2010) Ingvar Lindgren INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Full implementation and benchmark studies of Mukherjee’s state-specific multireference coupled-cluster ansatz
- (2010) Sanghamitra Das et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- Spinfree formulation of reduced density matrices, density cumulants and generalised normal ordering
- (2010) Werner Kutzelnigg et al. MOLECULAR PHYSICS
- Multireference perturbation theory can predict a false ground state
- (2010) Cristopher Camacho et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- How many-body perturbation theory (MBPT) has changed quantum chemistry
- (2009) Werner Kutzelnigg INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Orbital invariance issue in multireference methods
- (2009) Liguo Kong 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
- Rethinking linearized coupled-cluster theory
- (2009) Andrew G. Taube et al. JOURNAL OF CHEMICAL PHYSICS
- Quadratic canonical transformation theory and higher order density matrices
- (2009) Eric Neuscamman et al. JOURNAL OF CHEMICAL PHYSICS
- Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods
- (2008) Xiangzhu Li et al. JOURNAL OF CHEMICAL PHYSICS
- Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries
- (2008) A. Eugene DePrince et al. JOURNAL OF CHEMICAL PHYSICS
- An extended multireference study of the electronic states of para-benzyne
- (2008) Evan B. Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Intruder states in multireference perturbation theory: The ground state of manganese dimer
- (2008) Cristopher Camacho et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Create your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started