Computer simulation of mixed classical-quantum systems

Conference · Tue Nov 01 00:00:00 EST 1988

OSTI ID:6782064

Kalia, R K; Vashishta, P

We briefly review three important methods that are currently used in the simulation of mixed systems. Two of these techniques, path integral Monte Carlo or molecular dynamics and dynamical simulated annealing, have the limitation that they can only describe the structural properties in the ground state. The third so-called quantum molecular dynamics (QMD) method can provide not only the static properties but also the real-time dynamics of a quantum particle at finite temperatures. 10 refs.

• Research Organization: Argonne National Lab., IL (USA)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6782064
• Report Number(s): CONF-8808136-2; ON: DE89005786
• Resource Relation: Conference: Condensed matter theories, Taxco, Mexico, 14 Aug 1988; Other Information: Portions of this document are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
MIXTURES
COMPUTERIZED SIMULATION
ANNEALING
EQUATIONS
LAGRANGIAN FUNCTION
MONTE CARLO METHOD
PARTICLES
QUANTUM MECHANICS
SCHROEDINGER EQUATION
DIFFERENTIAL EQUATIONS
DISPERSIONS
FUNCTIONS
HEAT TREATMENTS
MECHANICS
PARTIAL DIFFERENTIAL EQUATIONS
SIMULATION
WAVE EQUATIONS
657002* - Theoretical & Mathematical Physics- Classical & Quantum Mechanics
990230 - Mathematics & Mathematical Models- (1987-1989)