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。Efficient self-consistent treatment of electron correlation within the random phase approximation
Patrick Bleiziffer et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
On the Short-Range Behavior of Correlated Pair Functions from the Adiabatic-Connection Fluctuation-Dissipation Theorem of Density-Functional Theory
Andreas Hesselmann et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange
Ilya G. Ryabinkin et al.
PHYSICAL REVIEW LETTERS (2013)
Understanding and Reducing Errors in Density Functional Calculations
Min-Cheol Kim et al.
PHYSICAL REVIEW LETTERS (2013)
Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation
Maria Hellgren et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond
Prakash Verma et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation
Patrick Bleiziffer et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Random-phase approximation and its applications in computational chemistry and materials science
Xinguo Ren et al.
JOURNAL OF MATERIALS SCIENCE (2012)
Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project
Xavier Andrade et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2012)
Electron correlation methods based on the random phase approximation
Henk Eshuis et al.
THEORETICAL CHEMISTRY ACCOUNTS (2012)
Spin flipping in ring-coupled-cluster-doubles theory
Wim Klopper et al.
CHEMICAL PHYSICS LETTERS (2011)
Configuration Interaction Calculations on the 2P Ground State of Boron Atom and C+ Using Slater Orbitals
M. Belen Ruiz et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock
Andreas Hesselmann et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A Parameter-Free Density Functional That Works for Noncovalent Interactions
Henk Eshuis et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Random-phase approximation correlation methods for molecules and solids
A. Hesselmann et al.
MOLECULAR PHYSICS (2011)
Correct Description of the Bond Dissociation Limit without Breaking Spin Symmetry by a Random-Phase-Approximation Correlation Functional
Andreas Hesselmann et al.
PHYSICAL REVIEW LETTERS (2011)
Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations
Xinguo Ren et al.
PHYSICAL REVIEW LETTERS (2011)
Molecular Excitation Spectra by TDDFT With the Nonadiabatic Exact Exchange Kernel
Andrey Ipatov et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
A first-principles study of weakly bound molecules using exact exchange and the random phase approximation
Huy-Viet Nguyen et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Hybrid functionals including random phase approximation correlation and second-order screened exchange (vol 132, 094103, 2010)
Joachim Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions
Deyu Lu et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
Wuming Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Hybrid functionals including random phase approximation correlation and second-order screened exchange
Joachim Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions
Georg Jansen et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration
Henk Eshuis et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Correlation energy functional and potential from time-dependent exact-exchange theory
Maria Hellgren et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
The RPA Atomization Energy Puzzle
Adrienn Ruzsinszky et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
The connection between self-interaction and static correlation: a random phase approximation perspective
Thomas M. Henderson et al.
MOLECULAR PHYSICS (2010)
Random phase approximation correlation energies with exact Kohn-Sham exchange
Andreas Hesselmann et al.
MOLECULAR PHYSICS (2010)
Atomic excitations during the nuclear β- decay in light atoms
Alexei M. Frolov et al.
PHYSICAL REVIEW A (2010)
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications
Julien Toulouse et al.
PHYSICAL REVIEW A (2010)
Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes (vol 61, pg 16430, 2000)
Zidan Yan et al.
PHYSICAL REVIEW B (2010)
Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids
Judith Harl et al.
PHYSICAL REVIEW B (2010)
Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
S. Lebegue et al.
PHYSICAL REVIEW LETTERS (2010)
Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods
Andreas Goerling et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2010)
Exact-exchange kernel of time-dependent density functional theory: Frequency dependence and photoabsorption spectra of atoms
Maria Hellgren et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Making the random phase approximation to electronic correlation accurate
Andreas Grueneis et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
Tamar Stein et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Long-range-corrected hybrids including random phase approximation correlation
Benjamin G. Janesko et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Qualitatively Correct Charge-Transfer Excitation Energies in HeH+ by Time-Dependent Density-Functional Theory Due to Exact Exchange Kohn-Sham Eigenvalue Differences
Tino Gimon et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory
Tamar Stein et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory
Huy-Viet Nguyen et al.
PHYSICAL REVIEW B (2009)
Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation
Julien Toulouse et al.
PHYSICAL REVIEW LETTERS (2009)
Accurate Bulk Properties from Approximate Many-Body Techniques
Judith Harl et al.
PHYSICAL REVIEW LETTERS (2009)
Charge-transfer excitation energies with a time-dependent density-functional method suitable for orbital-dependent exchange-correlation kernels
Andreas Hesselmann et al.
PHYSICAL REVIEW A (2009)
Comparison between optimized effective potential and Kohn-Sham methods
Andreas Hesselmann et al.
CHEMICAL PHYSICS LETTERS (2008)
The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach
Gustavo E. Scuseria et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Developing the random phase approximation into a practical post-Kohn-Sham correlation model
Filipp Furche
JOURNAL OF CHEMICAL PHYSICS (2008)
Linear density response function within the time-dependent exact-exchange approximation
Maria Hellgren et al.
PHYSICAL REVIEW B (2008)
Random-phase-approximation-based correlation energy functionals: Benchmark results for atoms
Hong Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Numerically stable optimized effective potential method with balanced Gaussian basis sets
Andreas Hesselmann et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Correlation potential in density functional theory at the GWA level: Spherical atoms
Maria Hellgren et al.
PHYSICAL REVIEW B (2007)
Failure of time-dependent density functional methods for excitations in spatially separated systems
W Hieringer et al.
CHEMICAL PHYSICS LETTERS (2006)
Quantum Monte Carlo study of composite fermions in quantum dots:: The effect of Landau-level mixing -: art. no. 205327
AD Güçlü et al.
PHYSICAL REVIEW B (2005)
Fluctuation-dissipation theorem density-functional theory
F Furche et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Describing static correlation in bond dissociation by Kohn-Sham density functional theory
M Fuchs et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Avoiding asymptotic divergence of the potential from orbital- and energy-dependent exchange-correlation functionals
YM Niquet et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn-Sham theory
DJ Tozer
JOURNAL OF CHEMICAL PHYSICS (2003)
Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework
YM Niquet et al.
PHYSICAL REVIEW A (2003)
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
A Dreuw et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Excitation energies of molecules by time-dependent density functional theory based on effective exact exchange Kohn-Sham-potentials
F Della Sala et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2003)
Algebraic equation and iterative optimization for the optimized effective potential in density functional theory
Q Wu et al.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2003)
Total energy of solids: An exchange and random-phase approximation correlation study
T Miyake et al.
PHYSICAL REVIEW B (2002)
Direct method for optimized effective potentials in density-functional theory
WT Yang et al.
PHYSICAL REVIEW LETTERS (2002)
Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior -: art. no. 035114
YH Kim et al.
PHYSICAL REVIEW B (2002)
Accurate density functionals: Approaches using the adiabatic-connection fluctuation-dissipation theorem
M Fuchs et al.
PHYSICAL REVIEW B (2002)
Electronic excitations: density-functional versus many-body Green's-function approaches
G Onida et al.
REVIEWS OF MODERN PHYSICS (2002)
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations
F Weigend et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Molecular tests of the random phase approximation to the exchange-correlation energy functional
F Furche
PHYSICAL REVIEW B (2001)
Role of the core-valence interaction for pseudopotential calculations with exact exchange -: art. no. 125111
E Engel et al.
PHYSICAL REVIEW B (2001)
Can optimized effective potentials be determined uniquely?
S Hirata et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Energy-optimized local exchange-correlation kernel for the electron gas: Application to van der Waals forces
JF Dobson et al.
PHYSICAL REVIEW B (2000)
Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes
ZD Yan et al.
PHYSICAL REVIEW B (2000)
分享论文
