标题
Selfconsistent random phase approximation methods
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 155, Issue 4, Pages 040902
出版商
AIP Publishing
发表日期
2021-07-22
DOI
10.1063/5.0056565
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Optimized effective potentials from the random-phase approximation: Accuracy of the quasiparticle approximation
- (2021) Stefan Riemelmoser et al. JOURNAL OF CHEMICAL PHYSICS
- Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules
- (2020) Brian D. Nguyen et al. Journal of Chemical Theory and Computation
- TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
- (2020) Sree Ganesh Balasubramani et al. JOURNAL OF CHEMICAL PHYSICS
- Analytic energy gradients for the self-consistent direct random phase approximation
- (2020) Adrian Thierbach et al. JOURNAL OF CHEMICAL PHYSICS
- A range-separated generalized Kohn–Sham method including a long-range nonlocal random phase approximation correlation potential
- (2020) Daniel Graf et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Electron Affinities Using the Generalized Kohn–Sham Semicanonical Projected Random Phase Approximation
- (2020) Vamsee K. Voora Journal of Physical Chemistry Letters
- Design principles for rational polyurethane catalyst development
- (2019) Mikko Muuronen et al. JOURNAL OF ORGANIC CHEMISTRY
- Effective one-particle energies from generalized Kohn–Sham random phase approximation: A direct approach for computing and analyzing core ionization energies
- (2019) Vamsee K. Voora et al. JOURNAL OF CHEMICAL PHYSICS
- Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations
- (2019) Francesco Nattino et al. Journal of Chemical Theory and Computation
- Density Functional Analysis: The Theory of Density-Corrected DFT
- (2019) Stefan Vuckovic et al. Journal of Chemical Theory and Computation
- The Electron Affinity as the Highest Occupied Anion Orbital Energy with a Sufficiently Accurate Approximation of the Exact Kohn–Sham Potential
- (2019) M. Amati et al. Journal of Chemical Theory and Computation
- Performance and Scope of Perturbative Corrections to Random-Phase Approximation Energies
- (2018) Guo P. Chen et al. Journal of Chemical Theory and Computation
- Unphysical Discontinuities in GW Methods
- (2018) Mickaël Véril et al. Journal of Chemical Theory and Computation
- Low-scaling analytical gradients for the direct random phase approximation using an atomic orbital formalism
- (2018) Matthias Beuerle et al. JOURNAL OF CHEMICAL PHYSICS
- Describing transition metal homogeneous catalysis using the random phase approximation
- (2018) Julianna Chedid et al. THEORETICAL CHEMISTRY ACCOUNTS
- Vanishing-Overhead Linear-Scaling Random Phase Approximation by Cholesky Decomposition and an Attenuated Coulomb-Metric
- (2017) Arne Luenser et al. Journal of Chemical Theory and Computation
- Generalized Optimized Effective Potential for Orbital Functionals and Self-Consistent Calculation of Random Phase Approximations
- (2017) Ye Jin et al. Journal of Physical Chemistry Letters
- Understanding band gaps of solids in generalized Kohn–Sham theory
- (2017) John P. Perdew et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Density functional theory is straying from the path toward the exact functional
- (2017) Michael G. Medvedev et al. SCIENCE
- Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation
- (2016) Henry F. Schurkus et al. JOURNAL OF CHEMICAL PHYSICS
- Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations
- (2015) Jörg Kussmann et al. Journal of Chemical Theory and Computation
- GW100: Benchmarking G0W0 for Molecular Systems
- (2015) Michiel J. van Setten et al. Journal of Chemical Theory and Computation
- Multiplicity of solutions toGW-type approximations
- (2015) F. Tandetzky et al. PHYSICAL REVIEW B
- Static correlation and electron localization in molecular dimers from the self-consistent RPA andGWapproximation
- (2015) Maria Hellgren et al. PHYSICAL REVIEW B
- Ions in solution: Density corrected density functional theory (DC-DFT)
- (2014) Min-Cheol Kim et al. JOURNAL OF CHEMICAL PHYSICS
- Cubic-scaling algorithm and self-consistent field for the random-phase approximation with second-order screened exchange
- (2014) Jonathan E. Moussa JOURNAL OF CHEMICAL PHYSICS
- Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation
- (2014) Jiří Klimeš et al. JOURNAL OF CHEMICAL PHYSICS
- A systematic way for the cost reduction of density fitting methods
- (2014) Mihály Kállay JOURNAL OF CHEMICAL PHYSICS
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- (2014) Daniel Lüftner et al. PHYSICAL REVIEW B
- Ab initioself-consistent total-energy calculations within the EXX/RPA formalism
- (2014) Ngoc Linh Nguyen et al. PHYSICAL REVIEW B
- Efficient self-consistent treatment of electron correlation within the random phase approximation
- (2013) Patrick Bleiziffer et al. JOURNAL OF CHEMICAL PHYSICS
- The extended Koopmans' theorem for orbital-optimized methods: Accurate computation of ionization potentials
- (2013) Uğur Bozkaya JOURNAL OF CHEMICAL PHYSICS
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- (2013) C. Dupont et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Random phase approximation renormalized many-body perturbation theory
- (2013) Jefferson E. Bates et al. JOURNAL OF CHEMICAL PHYSICS
- Analytical First-Order Molecular Properties and Forces within the Adiabatic Connection Random Phase Approximation
- (2013) Asbjörn M. Burow et al. Journal of Chemical Theory and Computation
- The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
- (2013) E. J. Baerends et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks
- (2013) Xinguo Ren et al. PHYSICAL REVIEW B
- Publisher’s Note: Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange [Phys. Rev. Lett.111, 013001 (2013)]
- (2013) Ilya G. Ryabinkin et al. PHYSICAL REVIEW LETTERS
- Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange
- (2013) Ilya G. Ryabinkin et al. PHYSICAL REVIEW LETTERS
- Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation
- (2012) Maria Hellgren et al. JOURNAL OF CHEMICAL PHYSICS
- Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond
- (2012) Prakash Verma et al. JOURNAL OF CHEMICAL PHYSICS
- Basis set convergence of molecular correlation energy differences within the random phase approximation
- (2012) Henk Eshuis et al. JOURNAL OF CHEMICAL PHYSICS
- Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals
- (2012) Leeor Kronik et al. Journal of Chemical Theory and Computation
- Random-phase approximation and its applications in computational chemistry and materials science
- (2012) Xinguo Ren et al. JOURNAL OF MATERIALS SCIENCE
- Electron correlation methods based on the random phase approximation
- (2012) Henk Eshuis et al. THEORETICAL CHEMISTRY ACCOUNTS
- Communication: Avoiding unbound anions in density functional calculations
- (2011) Min-Cheol Kim et al. JOURNAL OF CHEMICAL PHYSICS
- Correlation Energy Expressions from the Adiabatic-Connection Fluctuation–Dissipation Theorem Approach
- (2011) János G. Ángyán et al. Journal of Chemical Theory and Computation
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Random-phase approximation correlation methods for molecules and solids
- (2011) A. Heßelmann et al. MOLECULAR PHYSICS
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- (2011) Xinguo Ren et al. PHYSICAL REVIEW LETTERS
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- (2010) Tait Takatani et al. JOURNAL OF CHEMICAL PHYSICS
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- (2010) Joachim Paier et al. JOURNAL OF CHEMICAL PHYSICS
- Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration
- (2010) Henk Eshuis et al. JOURNAL OF CHEMICAL PHYSICS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Generalized Microscopic Theory for the Detachment Energy of Solvated Negatively Charged Ions in Finite Size Clusters: A Step toward Bulk
- (2010) A. K. Pathak et al. Journal of Physical Chemistry Letters
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- (2010) Sohrab Ismail-Beigi PHYSICAL REVIEW B
- GW quasiparticle spectra from occupied states only
- (2010) P. Umari et al. PHYSICAL REVIEW B
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- (2010) S. Lebègue et al. PHYSICAL REVIEW LETTERS
- Making the random phase approximation to electronic correlation accurate
- (2009) Andreas Grüneis et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate Bulk Properties from Approximate Many-Body Techniques
- (2009) Judith Harl et al. PHYSICAL REVIEW LETTERS
- The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach
- (2008) Gustavo E. Scuseria et al. JOURNAL OF CHEMICAL PHYSICS
- Optimized effective potentials from arbitrary basis sets
- (2008) Tim Heaton-Burgess et al. JOURNAL OF CHEMICAL PHYSICS
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