Research Catalog

Title

The quantum classical theory / Gert D. Billing.

Author

Billing, Gert D.

Publication

Oxford ; New York : Oxford University Press, 2003.

Items in the Library & Off-site

Details

Description

xi, 236 pages : illustrations; 25 cm

Subject

• Quantum chemistry
• Molecular dynamics
• Molecular dynamics
• Quantum chemistry
• Chemische Reaktion
• Molekulardynamik
• Quantenchemie

Bibliography (note)

• Includes bibliographical references (p. 225-233) and index.

Contents

Rigorous theories -- Path-integral approach -- The short time propagator -- The classical limit -- The Van Vleck propagator -- Gaussians at work -- Cellular dynamics -- A semi-classical IVR propagator -- An orthorgonal basis set -- Bohmian mechanics -- Mixing of Gauss-Hermite and ordinary basis sets -- The classical path approximation -- The exact equations of motion in the TDGH basis -- Bound states and Gauss-Hermite functions -- The Morse-oscillator in a Gauss-Hermite basis -- Treatment of 2D systems in the G-H basis -- The quantum-classical correlation -- Spherical harmonics in a Gauss-Hermite basis set -- Second quantization and Gauss-Hermite functions -- Quantum dressed classical mechanics -- The DVR scheme -- Arbitrarily sized systems -- The MCTDH approach -- Approximate theories -- Time-dependent SCF -- The classical path theory -- Relation to other theories -- Energy transfer -- The V[subscript q]R[subscript q]T[subscript c] method -- The V[subscript q]R[subscript c]T[subscript c] method -- The V[subscript q]R[subscript c]T[subscript c] method for diatom-diatom collisions -- Reactive scattering -- Non-adiabatic transitions -- Pechukas theory -- Tully's approach -- Spawning method -- The multi-trajectory and TDGH-DVR methods -- Second quantization -- Diatom-diatom collisions -- General hamiltonians -- More complex systems -- Potential energy surfaces -- The Born-Oppenheimer separation -- Approximate interaction potentials -- Polyatomic molecules -- Second quantization solution for U -- The classical degrees of freedom.

ISBN

• 0195146190
• 9780195146196
• 0195302931
• 9780195302936

LCCN

2002025772

OCLC

• ocm49519041
• 49519041
• SCSB-1298096

Owning Institutions

Princeton University Library