Quantum chemistry in the age of quantum computing

Y Cao, J Romero, JP Olson, M Degroote… - Chemical …, 2019 - ACS Publications
Practical challenges in simulating quantum systems on classical computers have been
widely recognized in the quantum physics and quantum chemistry communities over the …

[HTML][HTML] The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges

A Baiardi, M Reiher - The Journal of Chemical Physics, 2020 - pubs.aip.org
In the past two decades, the density matrix renormalization group (DMRG) has emerged as
an innovative new method in quantum chemistry relying on a theoretical framework very …

The density-matrix renormalization group

U Schollwöck - Reviews of modern physics, 2005 - APS
The density-matrix renormalization group (DMRG) is a numerical algorithm for the efficient
truncation of the Hilbert space of low-dimensional strongly correlated quantum systems …

Tensor product methods and entanglement optimization for ab initio quantum chemistry

S Szalay, M Pfeffer, V Murg, G Barcza… - … Journal of Quantum …, 2015 - Wiley Online Library
The treatment of high‐dimensional problems such as the Schrödinger equation can be
approached by concepts of tensor product approximation. We present general techniques …

[HTML][HTML] Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms

GK Chan, A Keselman, N Nakatani, Z Li… - The Journal of chemical …, 2016 - pubs.aip.org
Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm
use two superficially different languages: an older language of the renormalization group …

The density matrix renormalization group for ab initio quantum chemistry

S Wouters, D Van Neck - The European Physical Journal D, 2014 - Springer
During the past 15 years, the density matrix renormalization group (DMRG) has become
increasingly important for ab initio quantum chemistry. Its underlying wavefunction ansatz …

The Tensor Networks Anthology: Simulation techniques for many-body quantum lattice systems

P Silvi, F Tschirsich, M Gerster, J Jünemann… - SciPost Physics Lecture …, 2019 - scipost.org
We present a compendium of numerical simulation techniques, based on tensor network
methods, aiming to address problems of many-body quantum mechanics on a classical …

Developments in the tensor network—from statistical mechanics to quantum entanglement

K Okunishi, T Nishino, H Ueda - Journal of the Physical Society of …, 2022 - journals.jps.jp
Tensor networks (TNs) have become one of the most essential building blocks for various
fields of theoretical physics such as condensed matter theory, statistical mechanics …

[CARTE][B] Introduction to tensor network methods

S Montangero, E Montangero, Evenson - 2018 - Springer
In the last years, a number of theoretical and numerical tools have been developed by a
thriving community formed by people coming from different backgrounds—condensed …

An efficient matrix product operator representation of the quantum chemical Hamiltonian

S Keller, M Dolfi, M Troyer, M Reiher - The Journal of chemical physics, 2015 - pubs.aip.org
We describe how to efficiently construct the quantum chemical Hamiltonian operator in
matrix product form. We present its implementation as a density matrix renormalization …