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。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)
Basis set convergence of molecular correlation energy differences within the random phase approximation
Henk Eshuis 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)
Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
Xinguo Ren et al.
NEW JOURNAL OF PHYSICS (2012)
Assessment of correlation energies based on the random-phase approximation
Joachim Paier et al.
NEW JOURNAL OF PHYSICS (2012)
Electron correlation methods based on the random phase approximation
Henk Eshuis et al.
THEORETICAL CHEMISTRY ACCOUNTS (2012)
Third-order corrections to random-phase approximation correlation energies
Andreas Hesselmann
JOURNAL OF CHEMICAL PHYSICS (2011)
On the effectiveness of CCSD(T) complete basis set extrapolations for atomization energies
David Feller et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A simple but fully nonlocal correction to the random phase approximation
Adrienn Ruzsinszky et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach
Janos G. Angyan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (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)
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)
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)
Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: The atoms B-Ne and Al-Ar
J. Grant Hill 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)
Random phase approximation correlation energies with exact Kohn-Sham exchange
Andreas Hesselmann et al.
MOLECULAR PHYSICS (2010)
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications
Julien Toulouse et al.
PHYSICAL REVIEW A (2010)
The role of the reference state in long-range random phase approximation correlation
Benjamin G. Janesko et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Long-range-corrected hybrid density functionals including random phase approximation correlation: Application to noncovalent interactions
Benjamin G. Janesko 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)
Long-range-corrected hybrids including random phase approximation correlation
Benjamin G. Janesko et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation
Julien Toulouse et al.
PHYSICAL REVIEW LETTERS (2009)
Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer
Michal Pitonak et al.
CHEMPHYSCHEM (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)
Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory
Judith Harl et al.
PHYSICAL REVIEW B (2008)
Accurate extrapolation of electron correlation energies from small basis sets
Dirk Bakowies
JOURNAL OF CHEMICAL PHYSICS (2007)
Extrapolation of electron correlation energies to finite and complete basis set targets
Dirk Bakowies
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)
Extrapolating to the one-electron basis-set limit in electronic structure calculations
A. J. C. Varandas
JOURNAL OF CHEMICAL PHYSICS (2007)
Density functionals from many-body perturbation theory:: The band gap for semiconductors and insulators
M Grüning et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Fluctuation-dissipation theorem density-functional theory
F Furche et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Soft cohesive forces
JF Dobson et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework
YM Niquet et al.
PHYSICAL REVIEW A (2003)
Accurate correlation consistent basis sets for molecular core-valence correlation effects: The second row atoms Al-Ar, and the first row atoms B-Ne revisited
KA Peterson et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Accurate density functionals: Approaches using the adiabatic-connection fluctuation-dissipation theorem
M Fuchs et al.
PHYSICAL REVIEW B (2002)
Molecular tests of the random phase approximation to the exchange-correlation energy functional
F Furche
PHYSICAL REVIEW B (2001)
Performance of CCSDT for diatomic dissociation energies
D Feller et al.
JOURNAL OF CHEMICAL PHYSICS (2000)