Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem.
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Moment expansion of the linear density-density response function.London dispersion in molecular chemistry--reconsidering steric effects.Many-body dispersion effects in the binding of adsorbates on metal surfaces.van der Waals dispersion interactions in molecular materials: beyond pairwise additivity.Fast oxygen diffusion and iodide defects mediate oxygen-induced degradation of perovskite solar cells.Van der Waals interactions in density functional theory by combining the quantum harmonic oscillator-model with localized Wannier functions.Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystals.Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT.Approaching truly freestanding graphene: the structure of hydrogen-intercalated graphene on 6H-SiC(0001).Unifying Microscopic and Continuum Treatments of van der Waals and Casimir Interactions.Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework.Wavelike charge density fluctuations and van der Waals interactions at the nanoscale.Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol.Van der Waals coefficients beyond the classical shell model.Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions.
P2860
Q30315969-5E72E983-F94C-4DE7-AD31-C6BD99D138A7Q38564398-D52423DF-0FC3-4521-AADB-00728ED6E9C8Q38587556-C7333245-F95D-444F-895D-F10F46EF0F74Q38652551-94E20F17-34CE-4B4C-BE87-EC38F46D14E0Q38685369-F1BA6809-1A3D-47D8-9752-AD229552E8D6Q44212310-ABA45723-83AC-4803-931C-5379BA5F0367Q46027239-0B7B196A-4CFC-4B1C-8FDA-99601B08ABEDQ47948204-C679B6F4-4CA6-48A0-AE9C-EEE8AC95D32FQ48941258-D9578609-7D0B-4C74-918C-CA7E8AE9613DQ51006449-E133C804-A22A-46FF-8C9E-C6FF7B6CDFCAQ51131485-671FBA3D-84E5-4D4C-8580-D0ECDEA93B3EQ52837188-021D0E8F-4DAA-4BE6-B336-E7F61BBD7ABBQ52843581-E1C367E5-0D9A-452E-BB29-25D2530523DFQ52855071-827A63BC-3060-4D24-9AF9-BCA2EDC55365Q52910365-8A6C4DE1-19FA-4EB5-A1DF-8F361B0D9B67Q53337988-A2F9B02E-E8E2-4B04-AD5A-67E73D22EC38Q55175901-B66A8B0E-B96C-4B34-9CFC-D2964945701B
P2860
Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem.
description
2013 nî lūn-bûn
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2013 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
Interatomic methods for the di ...... uctuation-dissipation theorem.
@ast
Interatomic methods for the di ...... uctuation-dissipation theorem.
@en
type
label
Interatomic methods for the di ...... uctuation-dissipation theorem.
@ast
Interatomic methods for the di ...... uctuation-dissipation theorem.
@en
prefLabel
Interatomic methods for the di ...... uctuation-dissipation theorem.
@ast
Interatomic methods for the di ...... uctuation-dissipation theorem.
@en
P2093
P2860
P356
P1476
Interatomic methods for the di ...... uctuation-dissipation theorem.
@en
P2093
Alberto Ambrosetti
Alexandre Tkatchenko
Robert A DiStasio
P2860
P304
P356
10.1063/1.4789814
P407
P577
2013-02-01T00:00:00Z