Range separation and local hybridization in density functional theory
about
Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy.New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides.Quantum-chemical insights into mixed-valence systems: within and beyond the Robin-Day scheme.Design of exchange-correlation functionals through the correlation factor approach.Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics.Local-hybrid functional based on the correlation length.Excited states using the simplified Tamm-Dancoff-Approach for range-separated hybrid density functionals: development and application.Separation of dynamic and nondynamic correlation.Extreme density-driven delocalization error for a model solvated-electron system.Transition-metal dioxides: a case for the intersite term in Hubbard-model functionals.The ionic versus metallic nature of 2D electrides: a density-functional description.Correlation functional in screened-exchange density functional theory procedures.A new nonempirical tuning scheme with single self-consistent field calculation: Comparison with global and IP-tuned range-separated functional.Long-range corrected hybrid functionals for π-conjugated systems: dependence of the range-separation parameter on conjugation length.Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.Computational and spectroscopic studies of organic mixed-valence compounds: where is the charge?Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states.The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrodeSystematic dependence of transition-metal coordination energies on density-functional parametrizations
P2860
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P2860
Range separation and local hybridization in density functional theory
description
2008 nî lūn-bûn
@nan
2008 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Range separation and local hybridization in density functional theory
@ast
Range separation and local hybridization in density functional theory
@en
type
label
Range separation and local hybridization in density functional theory
@ast
Range separation and local hybridization in density functional theory
@en
prefLabel
Range separation and local hybridization in density functional theory
@ast
Range separation and local hybridization in density functional theory
@en
P2093
P2860
P356
P1476
Range separation and local hybridization in density functional theory
@en
P2093
Benjamin G Janesko
Gustavo E Scuseria
Thomas M Henderson
P2860
P304
P356
10.1021/JP806573K
P407
P577
2008-12-11T00:00:00Z