Quantum algorithms for quantum chemistry and quantum materials science
As we begin to reach the limits of classical computing, quantum computing has emerged as
a technology that has captured the imagination of the scientific world. While for many years …
a technology that has captured the imagination of the scientific world. While for many years …
Dynamics of non-Markovian open quantum systems
Open quantum systems (OQSs) cannot always be described with the Markov approximation,
which requires a large separation of system and environment time scales. An overview is …
which requires a large separation of system and environment time scales. An overview is …
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 …
Theoretical modeling of singlet fission
D Casanova - Chemical reviews, 2018 - ACS Publications
Singlet fission is a photophysical reaction in which a singlet excited electronic state splits
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …
Vibrations, quanta and biology
Quantum biology is an emerging field of research that concerns itself with the experimental
and theoretical exploration of non-trivial quantum phenomena in biological systems. In this …
and theoretical exploration of non-trivial quantum phenomena in biological systems. In this …
Tensor propagator for iterative quantum time evolution of reduced density matrices. I. Theory
N Makri, DE Makarov - The Journal of chemical physics, 1995 - pubs.aip.org
For common condensed phase problems described by a low‐dimensional system coupled
to a harmonic bath, Feynman's path integral formulation of time‐dependent quantum …
to a harmonic bath, Feynman's path integral formulation of time‐dependent quantum …
Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and N-Wave-Mixing Signals
Femtosecond nonlinear spectroscopy is the main tool for the time-resolved detection of
photophysical and photochemical processes. Since most systems of chemical interest are …
photophysical and photochemical processes. Since most systems of chemical interest are …
Open quantum system dynamics from infinite tensor network contraction
Approaching the long-time dynamics of non-Markovian open quantum systems presents a
challenging task if the bath is strongly coupled. Recent proposals address this problem …
challenging task if the bath is strongly coupled. Recent proposals address this problem …
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 …
Tensor propagator for iterative quantum time evolution of reduced density matrices. II. Numerical methodology
N Makri, DE Makarov - The Journal of chemical physics, 1995 - pubs.aip.org
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 …