Partial averaging approach to Fourier coefficient path integration

The recently introduced method of partial averaging is developed into a general formalism for computing simple Cartesian path integrals. Examples of its application to both harmonic and anharmonic systems are given. For harmonic systems, where analytical results can be derived, both imaginary and co...

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Veröffentlicht in:	J. Chem. Phys.; (United States) 1986-10, Vol.85 (8), p.4567-4583
Hauptverfasser:	COALSON, R. D, FREEMAN, D. L, DOLL, J. D
Format:	Artikel
Sprache:	eng
Schlagworte:	400201 - Chemical & Physicochemical Properties Applied sciences CHEMICAL REACTION KINETICS COMPUTERIZED SIMULATION Exact sciences and technology INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY INTEGRALS KINETICS MECHANICS MONTE CARLO METHOD Other techniques and industries QUANTUM MECHANICS REACTION KINETICS SAMPLING SIMULATION
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