Assessment of an analytical density matrix derived from a modified Colle-Salvetti approach to the electron gas
- Śbastien Ragot
- 2010
- Journal of Chemical Physics
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H3+ as a trap for noble gases-3: Multiple trapping of neon, argon, and krypton in Xn H3+ (n=1-3)
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- 2009
- Journal of Chemical Physics
Microstructural effects on electrical conductivity relaxation in nanoscale ceria thin films
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- 2009
- Journal of Chemical Physics
Ab initio simulation of the equation of state and kinetics of shocked water
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- 2009
- Journal of Chemical Physics
Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression
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- 2008
- Journal of Chemical Physics
Picosecond time resolved photoluminescence spectroscopy of a tetracene film on highly oriented pyrolytic graphite: Dynamical relaxation, trap emission, and superradiance
- M. Voigt
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- et al.
- 2007
- Journal of Chemical Physics
Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics
- John D. Chodera
- Nina Singhal
- et al.
- 2007
- Journal of Chemical Physics
Low variance energy estimators for systems of quantum Drude oscillators: Treating harmonic path integrals with large separations of time scales
- Troy W. Whitfield
- Glenn J. Martyna
- 2007
- Journal of Chemical Physics
Calculation of nonadiabatic couplings with restricted open-shell Kohn-Sham density-functional theory
- Salomon R. Billeter
- Daniel Egli
- 2006
- Journal of Chemical Physics
Starlike dendrimers in solutions: Structural properties and internal dynamics
- Silke Rathgeber
- Michael Monkenbusch
- et al.
- 2006
- Journal of Chemical Physics