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The Journal of Chemical Physics|March 11, 2006
Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factorFrederick R Manby, Hans-Joachim Werner, Thomas B Adler, et al.
The Journal of Chemical Physics|March 11, 2006
Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functionalAyako Nakata, Yutaka Imamura, Takao Otsuka, et al.
The Journal of Chemical Physics|March 11, 2006
Scaling down the Perdew-Zunger self-interaction correction in many-electron regionsOleg A Vydrov, Gustavo E Scuseria, John P Perdew, et al.
The Journal of Chemical Physics|March 11, 2006
Singularities of Møller-Plesset energy functionsAlexey V Sergeev, David Z Goodson
The Journal of Chemical Physics|March 11, 2006
A theoretical investigation of hyperpolarizability for small Ga(n)As(m) (n + m = 4-10) clustersY-Z Lan, W-D Cheng, D-S Wu, et al.
The Journal of Chemical Physics|March 11, 2006
Critical behavior of the Widom-Rowlinson mixture: coexistence diameter and order parameterR L C Vink
The Journal of Chemical Physics|March 11, 2006
Molecular simulation of liquid water confined inside graphite channels: thermodynamics and structural propertiesJ Marti, G Nagy, M C Gordillo, et al.
The Journal of Chemical Physics|March 11, 2006
A note on chirality in NMR spectroscopyR A Harris, Cynthia J Jameson
The Journal of Chemical Physics|March 25, 2006
Structural changes of an octanethiol monolayer via hyperthermal rare-gas collisionsDaniel P Fogarty, S Alex Kandel
The Journal of Chemical Physics|March 25, 2006
Second-order correction to perfect pairing: an inexpensive electronic structure method for the treatment of strong electron-electron correlationsGregory J O Beran, Martin Head-Gordon, Steven R Gwaltney
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