Variational configuration interaction methods and comparison with perturbation theory

Variational configuration interaction methods and comparison with perturbation theory

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http://www.wikidata.org/entity/Q29026839
Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.Electronic excitation and structural relaxation of the adenine dinucleotide in gas phase and solution.Restricted active space spin-flip configuration interaction: theory and examples for multiple spin flips with odd numbers of electrons.Multi-state effective Hamiltonian and size-consistency corrections in stochastic configuration interactions.Approximately size extensive local Multireference Singles and Doubles Configuration Interaction.Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.General technique for analytical derivatives of post-projected Hartree-Fock.Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI.Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo.Dyson orbitals of N2O: electron momentum spectroscopy and symmetry adapted cluster-configuration interaction calculations.Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4(+).Analysis of and remedies for unphysical ground states of the multireference averaged coupled-pair functional.Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materialsIntroducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond ordersControversial electronic structures and energies of Fe2, ${\rm Fe}_2^ +$ Fe 2+, and ${\rm Fe}_2^ -$ Fe 2− resolved by RASPT2 calculations
P2860

Variational configuration interaction methods and comparison with perturbation theory

Item
http://www.wikidata.org/entity/Q29026839
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Variational configuration interaction methods and comparison with perturbation theory
@ast
Variational configuration interaction methods and comparison with perturbation theory
@en
type
label
Variational configuration interaction methods and comparison with perturbation theory
@ast
Variational configuration interaction methods and comparison with perturbation theory
@en
prefLabel
Variational configuration interaction methods and comparison with perturbation theory
@ast
Variational configuration interaction methods and comparison with perturbation theory
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P577
P356
P1433
P1476
Variational configuration interaction methods and comparison with perturbation theory
@en
P2093
P304
P31
P356
P433
P478
P577