Coherence in Chemistry: Foundations and Frontiers
Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …
unsurprising that coherence has deep connections with the most contemporary issues in …
Intramolecular vibrations in excitation energy transfer: Insights from real-time path integral calculations
Excitation energy transfer (EET) is fundamental to many processes in chemical and
biological systems and carries significant implications for the design of materials suitable for …
biological systems and carries significant implications for the design of materials suitable for …
Contemporary issues in electron transfer research
PF Barbara, TJ Meyer, MA Ratner - The Journal of Physical …, 1996 - ACS Publications
This is an overview of some of the important, challenging, and problematic issues in
contemporary electron transfer research. After a qualitative discussion of electron transfer, its …
contemporary electron transfer research. After a qualitative discussion of electron transfer, its …
Tensor propagator for iterative quantum time evolution of reduced density matrices. II. Numerical methodology
In a recent Letter [Chem. Phys. Lett. 221, 482 (1994)], we demonstrated that the dynamics of
reduced density matrices for systems in contact with dissipative harmonic environments can …
reduced density matrices for systems in contact with dissipative harmonic environments can …
Ab Initio Quantum Molecular Dynamics
M Ben‐Nun, TJ Martínez - Advances in chemical physics, 2002 - Wiley Online Library
In this chapter, the authors discuss their recent development of the ab initio multiple
spawning (AIMS) method which solves the elecronic and nuclear Schrödinger equations …
spawning (AIMS) method which solves the elecronic and nuclear Schrödinger equations …
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 …
[PDF][PDF] Nine formulations of quantum mechanics
DF Styer, MS Balkin, KM Becker… - American Journal of …, 2002 - researchgate.net
Nine formulations of nonrelativistic quantum mechanics are reviewed. These are the
wavefunction, matrix, path integral, phase space, density matrix, second quantization …
wavefunction, matrix, path integral, phase space, density matrix, second quantization …
Path integrals for dissipative systems by tensor multiplication. Condensed phase quantum dynamics for arbitrarily long time
Feynman's influence functional that arises from many-particle environments is nonlocal in
time but the nonlocality has finite range, even at very low temperature. Use of our …
time but the nonlocality has finite range, even at very low temperature. Use of our …
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 …
Solution of the Redfield equation for the dissipative quantum dynamics of multilevel systems
WT Pollard, RA Friesner - The Journal of chemical physics, 1994 - pubs.aip.org
We present a new method for solving the Redfield equation, which describes the evolution
of the reduced density matrix of a multilevel quantum‐mechanical system interacting with a …
of the reduced density matrix of a multilevel quantum‐mechanical system interacting with a …