Towards an exact description of electronic wavefunctions in real solids.
about
Computational materials design of crystalline solidsComputational Screening of All Stoichiometric Inorganic Materials.Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H2 + Cu(111).Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids-The renormalized ALDA and electron gas kernels.Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states.Lattice energies of molecular solids from the random phase approximation with singles corrections.Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel.Toward Accurate Adsorption Energetics on Clay Surfaces.Many-body dispersion effects in the binding of adsorbates on metal surfaces.Size-dependent properties of transition metal clusters: from molecules to crystals and surfaces--computational studies with the program ParaGauss.Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states.Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors.Energy benchmarks for water clusters and ice structures from an embedded many-body expansion.Towards J/mol Accuracy for the Cohesive Energy of Solid Argon.Communication: Convergence of many-body wave-function expansions using a plane-wave basis in the thermodynamic limit.A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface.Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer.Computing molecular correlation energies with guaranteed precision.Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions.Pressure dependent stability and structure of carbon dioxide--a density functional study including long-range corrections.Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method.A deterministic alternative to the full configuration interaction quantum Monte Carlo method.Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems.Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces.Communication: Finite size correction in periodic coupled cluster theory calculations of solids.Systematic study of finite-size effects in quantum Monte Carlo calculations of real metallic systems.Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method.A study of the dense uniform electron gas with high orders of coupled cluster.Embedding for bulk systems using localized atomic orbitals.Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.High precision quantum-chemical treatment of adsorption: Benchmarking physisorption of molecular hydrogen on graphane.Wave function methods for fractional electrons.Fast and accurate quantum Monte Carlo for molecular crystals.Projector Quantum Monte Carlo Method for Nonlinear Wave Functions.Domain overlap matrices from plane-wave-based methods of electronic structure calculation.Density matrices in full configuration interaction quantum Monte Carlo: Excited states, transition dipole moments, and parallel distribution.Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas.Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo.Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction.Periodic local MP2 method employing orbital specific virtuals.
P2860
Q28595971-55013A8A-82AD-4F44-80FF-34B59B4D47F7Q28821369-158E8E38-F039-49B9-8765-9AF72F502390Q33900190-9A32AAC7-E72C-44B3-93A0-6F4EC1072FE8Q35776656-549F8A7C-82E6-49D2-80C6-97E075C1584FQ35776661-EAB082E5-1818-4644-9F29-78BC0DD91C1FQ36127310-02F3780B-45F1-4EDC-BDDB-ED14B1597CA4Q36135161-1157530E-C2DD-411F-9C5F-B6E8712E2181Q37449446-81119734-5431-4AB2-88B3-F31AEA35292BQ38587556-26F1E4CE-8573-439B-9813-296FDE1E0C0BQ38604653-CADD1FFC-3027-4FBD-B346-1DFF595983AEQ38894848-AA7364EC-819A-4845-86B1-21A13EAB2CF0Q38973923-BA8F02D8-E6D2-4FF0-A9FF-EE5393BD651BQ39344091-1663D7CB-5683-47B5-9C7F-8F37DF761CDBQ39424017-CE1FC29B-86ED-4411-AC65-B09866AB9911Q39569305-C120FA0E-7FCC-44A5-8305-E0C8ED6C94A3Q42242351-68C2F70E-A5AC-4498-A55C-19F7AB2E774BQ43624509-308096DC-FB2A-4D02-B3AE-53B7349BFE5CQ44494782-68DED76A-1734-4AE5-AD4E-E9912B5C39BBQ44542487-9C6544D7-4C81-4B4A-99F7-A405FF3B6CDEQ44824052-F6B2DDD6-25A4-471E-8FA5-51F5A32345C9Q45367029-2AB51ECC-86F1-4CDE-99C0-47A427328C4EQ46007823-38D50264-C403-40BA-B9EE-A9C45350ABFBQ46172458-4D5DCB71-663F-4FF2-890A-1F753AB3C6FEQ46265710-4AC32BD5-5A47-49DB-822E-A728BF252B8DQ47263472-BFD005D9-ACD4-41B4-9693-839992664C2FQ47362090-0C76A915-6F3E-4F07-903F-C711895500C5Q47989237-D9BD5A03-A133-4408-8348-DDBFD20CC74AQ48048289-83B58F34-AF18-4D9C-8B82-099679AB00A6Q48057274-675AAA27-C4A3-4245-8CF5-5A8AB19887F4Q48264903-8DF93737-6B0C-42AB-B3BE-8805631F8834Q48737446-13B44CED-EB58-494A-A8D1-672A32244961Q48933385-DFC7C7F3-F054-4FC7-BC12-57C4C5C568BDQ50063756-30EBD657-AFED-4D84-8574-6FE7006B37A7Q50438289-36682356-4F30-48F3-A2BD-91FAFC6D35FAQ50560224-0D36501F-CA11-4951-9EC2-90AE774A0D9EQ50577000-8460AD7E-C0B3-4BDD-BA48-EFE410939C9FQ50580469-3AE44C30-3040-40B7-A4A2-C2F528BD8F5DQ50598359-A829A482-49AF-4DA6-9142-D73082EE3CEFQ50696061-BB6FAEE1-DE06-4D32-B878-E0B42216B20EQ50708892-FB90B395-88FE-486E-95AB-178727B7BF0E
P2860
Towards an exact description of electronic wavefunctions in real solids.
description
2012 nî lūn-bûn
@nan
2012 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Towards an exact description of electronic wavefunctions in real solids.
@ast
Towards an exact description of electronic wavefunctions in real solids.
@en
Towards an exact description of electronic wavefunctions in real solids.
@nl
type
label
Towards an exact description of electronic wavefunctions in real solids.
@ast
Towards an exact description of electronic wavefunctions in real solids.
@en
Towards an exact description of electronic wavefunctions in real solids.
@nl
prefLabel
Towards an exact description of electronic wavefunctions in real solids.
@ast
Towards an exact description of electronic wavefunctions in real solids.
@en
Towards an exact description of electronic wavefunctions in real solids.
@nl
P2860
P356
P1433
P1476
Towards an exact description of electronic wavefunctions in real solids.
@en
P2093
George H Booth
P2860
P2888
P304
P356
10.1038/NATURE11770
P407
P577
2012-12-19T00:00:00Z
P6179
1002549066