Numerical assessment for accuracy and GPU acceleration of TD-DMRG time evolution schemes
The time dependent density matrix renormalization group (TD-DMRG) has become one of
the cutting edge methods of quantum dynamics for complex systems. In this paper, we …
the cutting edge methods of quantum dynamics for complex systems. In this paper, we …
[图书][B] Density Matrix and Tensor Network Renormalization
T Xiang - 2023 - books.google.com
Renormalization group theory of tensor network states provides a powerful tool for studying
quantum many-body problems and a new paradigm for understanding entangled structures …
quantum many-body problems and a new paradigm for understanding entangled structures …
Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach
S Fernandez-Alberti, DV Makhov, S Tretiak… - Physical Chemistry …, 2016 - pubs.rsc.org
Photoinduced dynamics of electronic and vibrational unidirectional energy transfer between
meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a …
meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a …
[图书][B] Density Matrix Renormalization Group (DMRG)-Based Approaches in Computational Chemistry
H Ma, U Schollwöck, Z Shuai - 2022 - books.google.com
Density Matrix Renormalization Group (DMRG)-based Approaches in Computational
Chemistry outlines important theories and algorithms of DMRG-based approaches and …
Chemistry outlines important theories and algorithms of DMRG-based approaches and …
Assessment of various natural orbitals as the basis of large active space density-matrix renormalization group calculations
Y Ma, H Ma - The Journal of Chemical Physics, 2013 - pubs.aip.org
It is well-known that not only the orbital ordering but also the choice of the orbitals itself as
the basis may significantly influence the computational efficiency of density-matrix …
the basis may significantly influence the computational efficiency of density-matrix …
The time-dependent density matrix renormalisation group method
H Ma, Z Luo, Y Yao - Molecular Physics, 2018 - Taylor & Francis
Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG)
method in the recent 15 years is reviewed in this paper. By integrating the time evolution …
method in the recent 15 years is reviewed in this paper. By integrating the time evolution …
Attosecond Quantum Dynamics of Molecular Inner-Shell Processes
M Behrooz - 2022 - ediss.sub.uni-hamburg.de
With the advent of ultrafast spectroscopy techniques based on attosecond light pulses,
tracing the electronic motions in molecular systems under non-equilibrium conditions has …
tracing the electronic motions in molecular systems under non-equilibrium conditions has …
Effect of dimerization on dynamics of spin-charge separation in Pariser-Parr-Pople model: A time-dependent density matrix renormalization group study
T Dutta, S Ramasesha - Physical Review B—Condensed Matter and Materials …, 2011 - APS
We investigate the effect of static electron-phonon coupling on real-time dynamics of spin
and charge transport in π-conjugated polyene chains. The polyene chain is modeled by the …
and charge transport in π-conjugated polyene chains. The polyene chain is modeled by the …
Real-time density matrix renormalization group dynamics of spin and charge transport in push-pull polyenes and related systems
T Dutta, S Ramasesha - Physical Review B—Condensed Matter and Materials …, 2012 - APS
In this paper we investigate the effect of terminal substituents on the dynamics of spin and
charge transport in donor-acceptor substituted polyenes [D–(CH) x–A] chains, also known …
charge transport in donor-acceptor substituted polyenes [D–(CH) x–A] chains, also known …