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Results: 1-7 |
Results: 7
Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings?
Authors: Hack, MD Jasper, AW Volobuev, YL Schwenke, DW Truhlar, DG
Citation: Md. Hack et al., Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings?, J PHYS CH A, 104(2), 2000, pp. 217-232
Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics
Authors: Volobuev, YL Hack, MD Topaler, MS Truhlar, DG
Citation: Yl. Volobuev et al., Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics, J CHEM PHYS, 112(22), 2000, pp. 9716-9726
Parallel Fourier Path-integral Monte Carlo calculations of absolute free energies and chemical equilibria
Authors: Srinivasan, J Volobuev, YL Mielke, SL Truhlar, DG
Citation: J. Srinivasan et al., Parallel Fourier Path-integral Monte Carlo calculations of absolute free energies and chemical equilibria, COMP PHYS C, 128(1-2), 2000, pp. 446-464
An MIMD strategy for quantum mechanical reactive scattering calculations
Authors: Volobuev, YL Truhlar, DG
Citation: Yl. Volobuev et Dg. Truhlar, An MIMD strategy for quantum mechanical reactive scattering calculations, COMP PHYS C, 128(1-2), 2000, pp. 465-476
Stabilization methods for quantum mechanical resonance states of four-bodysystems
Authors: Volobuev, YL Truhlar, DG
Citation: Yl. Volobuev et Dg. Truhlar, Stabilization methods for quantum mechanical resonance states of four-bodysystems, COMP PHYS C, 128(1-2), 2000, pp. 516-526
Quantum mechanical and quasiclassical trajectory surface hopping studies of the electronically nonadiabatic predissociation of the (A)over-tilde state of NaH2
Authors: Hack, MD Jasper, AW Volobuev, YL Schwenke, DW Truhlar, DG
Citation: Md. Hack et al., Quantum mechanical and quasiclassical trajectory surface hopping studies of the electronically nonadiabatic predissociation of the (A)over-tilde state of NaH2, J PHYS CH A, 103(32), 1999, pp. 6309-6326
Are semiclassical methods accurate for electronically nonadiabatic transitions between weakly coupled potential energy surfaces?
Authors: Volobuev, YL Hack, MD Truhlar, DG
Citation: Yl. Volobuev et al., Are semiclassical methods accurate for electronically nonadiabatic transitions between weakly coupled potential energy surfaces?, J PHYS CH A, 103(31), 1999, pp. 6225-6233
Risultati: 1-7 |