Accurate specific molecular state densities by phase space integration. I: Computational method

The semiclassical determination of the specific density of quantum states, ρ(E;J), at energy E with fixed total angular momentum J is discussed for small molecules. Monte Carlo integration allows the accurate numerical determination of the phase space volume of systems with J>0 and arbitrary anha...

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Veröffentlicht in:	The Journal of chemical physics 1992-05, Vol.96 (9), p.6834-6841
Hauptverfasser:	BERBLINGER, M, SCHLIER, C
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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