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Monte carlo sampling of a microcanonical ensemble of classical harmonic oscillators

✍ Scribed by William L. Hase; Daniel G. Buckowski

Book ID
103018921
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
329 KB
Volume
74
Category
Article
ISSN
0009-2614

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✦ Synopsis

T~ho efficient methods are presented for perforrnmg exact microcanonical samphng of harmonic oscillators It IS shown that ortha.nt samplmg, wluch has previously been used to approumately sample microcanonical ensembles ofanharmonic oscillators, IS an exact sampling technique when apphed to harmosuc oscillators.

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A simple Monte Carlo model is presented for simulating the motion of a quantum harmonic oscillator trapped in a rare gas cluster or matrix which is treated as a classical heat bath. Preliminary results are present for the system l:.Aq~ where it would appear that the bond length of the molecule is se