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TitleAuthor(s)Issue Date
 
A variational approach for dissipative quantum transport in a wide parameter space
Journal:Journal of Chemical Physics
ZHANG, YYAM, CYKWOK, YHChen, G
2015
 
Combine Umbrella Sampling with Integrated Tempering Method for Efficient and Accurate Calculation of Free Energy Changes of Complex Energy Surface
Journal:Journal of Chemical Physics
Yang, MYang, LGao, YHu, H
2014
 
Electronic transitions of tantalum monofluoride
Journal:Journal of Chemical Physics
Ng, KFZou, WLiu, WCheung, ASC
2017
 
Erratum: Thermodynamics of solid and liquid EAM metals: A variational study (Journal of Chemical Physics (1991) 94 (5090))
Journal:Journal of Chemical Physics
LeSar, R.Najafabadi, R.Srolovitz, D. J.
1991
 
Etching effects during the chemical vapor deposition of (100) diamond
Journal:Journal of Chemical Physics
Battaile, C. C.Srolovitz, D. J.Oleinik, I. I.Pettifor, D. G.Sutton, A. P.Harris, S. J.Butler, J. E.
1999
 
Evaluation of electronic correlation contributions for optical tensors of large systems using the incremental scheme
Journal:Journal of Chemical Physics
Yang, JunDolg, Michael
2007
 
Extended ensemble molecular dynamics method for constant strain rate uniaxial deformation of polymer systems
Journal:Journal of Chemical Physics
Yang, LiuSrolovitz, David J.Yee, Albert F.
1997
 
First-principles local density approximation (generalized gradient approximation) +U study of catalytic Ce<inf>n</inf>O<inf>m</inf> clusters: U value differs from bulk
Journal:Journal of Chemical Physics
Li, S. F.Lu, HeqiangLi, PinglinYang, ZongxianGuo, Z. X.
2008
 
Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-ΞΆ basis sets
Journal:Journal of Chemical Physics
Yang, JunHättig, Christof
2009
 
Intriguing structures and magic sizes of heavy noble metal nanoclusters around size 55 governed by relativistic effect and covalent bonding
Journal:Journal of Chemical Physics
Zhao, X. J.Xue, X. L.Guo, Z. X.Jia, YuLi, S. F.Zhang, ZhenyuGao, Y. F.
2015
 
Molecular dynamics study of isobaric and isochoric glass transitions in a model amorphous polymer
Journal:Journal of Chemical Physics
Yang, LiuSrolovitz, David J.Yee, Albert F.
1999
 
Optimization of orbital-specific virtuals in local Mller-Plesset perturbation theory
Journal:Journal of Chemical Physics
Kurashige, YYang, JChan, GKLManby, FR
2012
 
Role of Ag-doping in small transition metal clusters from first-principles simulations
Journal:Journal of Chemical Physics
Li, S. F.Shao, ZelunHan, ShuliXue, XinlianWang, F.Sun, Q.Jia, YuGuo, Z. X.
2009
 
Size- and charge-dependent geometric and electronic structures of Bin (Bin-) clusters (n=2-13) by first-principles simulations
Journal:Journal of Chemical Physics
Gao, LimingLi, PinglinLu, HeqiangLi, S. F.Guo, Z. X.
2008
 
Structure and binding energy of the H2S dimer at the CCSD(T) complete basis set limit
Journal:Journal of Chemical Physics
Lemke, KH
2017
 
Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models
Journal:Journal of Chemical Physics
Yang, JunHättig, Christof
2009
 
Tensor factorizations of local second-order Mller-Plesset theory
Journal:Journal of Chemical Physics
Yang, JKurashige, YManby, FRChan, GKL
2011
 
The ab-initio density matrix renormalization group in practice
Journal:Journal of Chemical Physics
Olivares-Amaya, RobertoHu, WeifengNakatani, NaokiSharma, SandeepYang, JunChan, Garnet Kin Lic
2015
 
The orbital-specific virtual local triples correction: OSV-L(T)
Journal:Journal of Chemical Physics
Schütz, MYang, JChan, GKLManby, FRWerner, HK
2013
 
The orbital-specific-virtual local coupled cluster singles and doubles method
Journal:Journal of Chemical Physics
Yang, JChan, GKLManby, FRSchütz, MWerner, HJ
2012
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