Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4+
出版年份 2014 全文链接
标题
Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4+
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 7, Pages 074111
出版商
AIP Publishing
发表日期
2014-08-22
DOI
10.1063/1.4892946
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。- Benchmark Study of Density Cumulant Functional Theory: Thermochemistry and Kinetics
- (2014) Andreas V. Copan et al. Journal of Chemical Theory and Computation
- Density cumulant functional theory: The DC-12 method, an improved description of the one-particle density matrix
- (2013) Alexander Yu. Sokolov et al. JOURNAL OF CHEMICAL PHYSICS
- Orbital-optimized density cumulant functional theory
- (2013) Alexander Yu. Sokolov et al. JOURNAL OF CHEMICAL PHYSICS
- Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory
- (2013) James B. Robinson et al. JOURNAL OF CHEMICAL PHYSICS
- Absorptions between 3000 and 5500 cm–1 of Cyclic O4+ and O4– Trapped in Solid Neon
- (2013) Marilyn E. Jacox et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Analytic gradients for density cumulant functional theory: The DCFT-06 model
- (2012) Alexander Yu. Sokolov et al. JOURNAL OF CHEMICAL PHYSICS
- Quasi-variational coupled cluster theory
- (2012) James B. Robinson et al. JOURNAL OF CHEMICAL PHYSICS
- Connection of an elementary class of parametric two-electron reduced-density-matrix methods to the coupled electron-pair approximations
- (2012) A. Eugene DePrince et al. MOLECULAR PHYSICS
- 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
- Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better
- (2011) Francesco A. Evangelista JOURNAL OF CHEMICAL PHYSICS
- Approximate variational coupled cluster theory
- (2011) James B. Robinson et al. JOURNAL OF CHEMICAL PHYSICS
- A novel interpretation of reduced density matrix and cumulant for electronic structure theories
- (2011) Liguo Kong et al. JOURNAL OF CHEMICAL PHYSICS
- Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems
- (2011) Uğur Bozkaya JOURNAL OF CHEMICAL PHYSICS
- Psi4: an open-source ab initio electronic structure program
- (2011) Justin M. Turney et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Variational configuration interaction methods and comparison with perturbation theory
- (2010) J. A. Pople et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Theoretical models incorporating electron correlation
- (2010) John A. Pople et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- A review of canonical transformation theory
- (2010) Eric Neuscamman et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Density cumulant functional theory: First implementation and benchmark results for the DCFT-06 model
- (2010) Andrew C. Simmonett et al. JOURNAL OF CHEMICAL PHYSICS
- Subsystem constraints in variational second order density matrix optimization: Curing the dissociative behavior
- (2010) Brecht Verstichel et al. JOURNAL OF CHEMICAL PHYSICS
- Benchmark studies of variational, unitary and extended coupled cluster methods
- (2010) Bridgette Cooper et al. JOURNAL OF CHEMICAL PHYSICS
- Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series
- (2010) Helen van Aggelen et al. JOURNAL OF CHEMICAL PHYSICS
- Strongly contracted canonical transformation theory
- (2010) Eric Neuscamman et al. JOURNAL OF CHEMICAL PHYSICS
- Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
- (2010) Takeshi Yanai et al. JOURNAL OF CHEMICAL PHYSICS
- Parametrization of the two-electron reduced density matrix for its direct calculation without the many-electron wave function: Generalizations and applications
- (2010) David A. Mazziotti PHYSICAL REVIEW A
- IR photodissociation spectroscopy of O4+, O6+ and O8+ cluster ions
- (2009) A.M. Ricks et al. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
- 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
- Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
- (2009) Frank Neese et al. JOURNAL OF CHEMICAL PHYSICS
- Violations of N-representability from spin-unrestricted orbitals in Møller–Plesset perturbation theory and related double-hybrid density functional theory
- (2009) Westin Kurlancheek et al. MOLECULAR PHYSICS
- Parametrization of the Two-Electron Reduced Density Matrix for its Direct Calculation without the Many-Electron Wave Function
- (2008) David A. Mazziotti PHYSICAL REVIEW LETTERS
- A comparative study of single reference correlation methods of the coupled-pair type
- (2007) Frank Wennmohs et al. CHEMICAL PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now