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Density functional theory on phase space
Density functional theory phase space
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2010/12/27
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of...
Phase space barriers and dividing surfaces in the absence of critical points of the potential energy
Phase space dividing surfaces critical points the potential energy
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2010/11/12
We consider the existence of invariant manifolds in phase space governing reaction dynamics in situations where there are no saddle points on the potential energy surface in the relevant regions of co...
Surface bubble nucleation phase space
Surface bubble nucleation phase space
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2010/11/16
Recent research has revealed several different techniques for nanoscopic gas nucleation on submerged surfaces, with findings seemingly in contradiction with each other. In response to this, we have s...