Time-dependent quantum methods for large systems
N Makri - Annual review of physical chemistry, 1999 - annualreviews.org
▪ Abstract This review focuses on time-dependent methods suitable for simulating the
quantum dynamics of processes in large clusters and condensed-phase environments. A …
quantum dynamics of processes in large clusters and condensed-phase environments. A …
Quantum theory of bimolecular chemical reactions
G Nyman, HG Yu - Reports on Progress in Physics, 2000 - iopscience.iop.org
In this review we discuss quantum dynamically based theoretical methods for studying
bimolecular gas phase chemical reactions. The scope is largely limited to reactions …
bimolecular gas phase chemical reactions. The scope is largely limited to reactions …
[图书][B] Quantum dissipative systems
U Weiss - 2012 - World Scientific
Quantum Dissipative Systems : Introduction Page 1 1 Introduction Quantum-statistical
mechanics is a very rich and checkered field. It is the theory dealing with the dynamical …
mechanics is a very rich and checkered field. It is the theory dealing with the dynamical …
Numerical path integral techniques for long time dynamics of quantum dissipative systems
N Makri - Journal of Mathematical Physics, 1995 - pubs.aip.org
Recent progress in numerical methods for evaluating the real-time path integral in
dissipative harmonic environments is reviewed. Quasi-adiabatic propagators constructed …
dissipative harmonic environments is reviewed. Quasi-adiabatic propagators constructed …
Quantum rates for a double well coupled to a dissipative bath: Accurate path integral results and comparison with approximate theories
M Topaler, N Makri - The Journal of chemical physics, 1994 - pubs.aip.org
We present accurate fully quantum calculations of thermal rate constants for a symmetric
double well system coupled to a dissipative bath. The calculations are performed using the …
double well system coupled to a dissipative bath. The calculations are performed using the …
Improved Feynman propagators on a grid and non-adiabatic corrections within the path integral framework
N Makri - Chemical physics letters, 1992 - Elsevier
The idea of using a good representation as the zeroth order description of a problem, which
is widely used in perturbation theory and in basis set calculations, is extended to the path …
is widely used in perturbation theory and in basis set calculations, is extended to the path …
Monte Carlo study of real time dynamics on the lattice
Monte Carlo studies involving real time dynamics are severely restricted by the sign problem
that emerges from a highly oscillatory phase of the path integral. In this Letter, we present a …
that emerges from a highly oscillatory phase of the path integral. In this Letter, we present a …
Low-temperature dynamical simulation of spin-boson systems
The dynamics of spin-boson systems at very low temperatures has been studied using a real-
time path-integral simulation technique, which combines a stochastic Monte Carlo sampling …
time path-integral simulation technique, which combines a stochastic Monte Carlo sampling …
Quantum dissipative dynamics: A numerically exact methodology
N Makri - The Journal of Physical Chemistry A, 1998 - ACS Publications
A fully quantum mechanical methodology for simulating the time evolution of low-
dimensional systems in harmonic dissipative environments is presented. The key features of …
dimensional systems in harmonic dissipative environments is presented. The key features of …
Feynman path integration in quantum dynamics
N Makri - Computer physics communications, 1991 - Elsevier
This article discusses the use of path integral techniques for the study of dynamical
processes in many-body quantum systems. Recently developed approaches are described …
processes in many-body quantum systems. Recently developed approaches are described …