标题
On asymptotic behavior of density functional theory
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 2, Pages 024104
出版商
AIP Publishing
发表日期
2013-07-10
DOI
10.1063/1.4811833
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。- Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies
- (2012) Miho Isegawa et al. JOURNAL OF CHEMICAL PHYSICS
- Benchmarking the performance of time-dependent density functional methods
- (2012) Sarom S. Leang et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient Calculations of Dispersion Energies for Nanoscale Systems from Coupled Density Response Functions
- (2012) Rafał Podeszwa et al. Journal of Chemical Theory and Computation
- Multi-reference state-universal coupled-cluster approaches to electronically excited states
- (2011) Xiangzhu Li et al. JOURNAL OF CHEMICAL PHYSICS
- Assessing Excited State Methods by Adiabatic Excitation Energies
- (2011) Robert Send et al. Journal of Chemical Theory and Computation
- Influence of Triplet Instabilities in TDDFT
- (2011) Michael J. G. Peach et al. Journal of Chemical Theory and Computation
- Symmetry-adapted perturbation theory of intermolecular forces
- (2011) Krzysztof Szalewicz Wiley Interdisciplinary Reviews-Computational Molecular Science
- Assessment of Functionals for TD-DFT Calculations of Singlet−Triplet Transitions
- (2010) Denis Jacquemin et al. Journal of Chemical Theory and Computation
- Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment
- (2010) Marco Caricato et al. Journal of Chemical Theory and Computation
- How to tell when a model Kohn–Sham potential is not a functional derivative
- (2009) Alex P. Gaiduk et al. JOURNAL OF CHEMICAL PHYSICS
- A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states
- (2009) Mary A. Rohrdanz et al. JOURNAL OF CHEMICAL PHYSICS
- Exchange-Dispersion Energy: A Formulation in Terms of Monomer Properties and Coupled Cluster Treatment of Intramonomer Correlation
- (2009) Tatiana Korona Journal of Chemical Theory and Computation
- Ab initio calculation of electric properties for the BH, CO, CS and N2 molecules
- (2009) Diego Paschoal et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Ultra-high accuracy calculations for hydrogen molecule and helium dimer
- (2008) Wojciech Cencek et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy: a helium dimer study
- (2008) Małgorzata Jeziorska et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- First-order exchange energy of intermolecular interactions from coupled cluster density matrices and their cumulants
- (2008) Tatiana Korona JOURNAL OF CHEMICAL PHYSICS
- Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory
- (2008) Tatiana Korona et al. JOURNAL OF CHEMICAL PHYSICS
- Intermediate Hamiltonian Fock-space multireference coupled-cluster method with full triples for calculation of excitation energies
- (2008) Monika Musial et al. JOURNAL OF CHEMICAL PHYSICS
- Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory
- (2008) Mary A. Rohrdanz et al. JOURNAL OF CHEMICAL PHYSICS
- Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
- (2008) Marko Schreiber et al. JOURNAL OF CHEMICAL PHYSICS
- Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants
- (2008) Tatiana Korona PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Two-particle density matrix cumulant of coupled cluster theory
- (2008) Tatiana Korona PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- An accurate analytic representation of the water pair potential
- (2008) Wojciech Cencek et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now