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On the Error in Quasi-Quantum Mechanical Calculations

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On the Error in Quasi-Quantum Mechanical Calculations

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dc.contributor.author Greenspan, Donald en
dc.date.accessioned 2010-06-09T16:17:17Z en
dc.date.available 2010-06-09T16:17:17Z en
dc.date.issued 1990-06 en
dc.identifier.uri http://hdl.handle.net/10106/2469 en
dc.description.abstract A numerical simulation of the vibration of a ground state H2 molecule is made from a quasi-quantum mechanical point of view, that is, energy has been determined by quantum mechanics and trajectories determined by Newtonian mechanics. The numerical method used is implicit and conserves the energy exactly at each time step. A variety of CRAY X-MP/SE14 calculations are described and discussed. Comparisons are made with correct oscillation and diameter values. en
dc.language.iso en_US en
dc.publisher University of Texas at Arlington en
dc.relation.ispartofseries Technical Report;271 en
dc.subject Ground state en
dc.subject H2 molecule en
dc.subject Quasi-quantum mechanical en
dc.subject Newtonian mechanics en
dc.subject Numerical method en
dc.subject Computer simulation en
dc.subject.lcsh Mathematics Research en
dc.title On the Error in Quasi-Quantum Mechanical Calculations en
dc.type Technical Report en
dc.publisher.department Department of Mathematics en

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