Multireference nature of chemistry: The coupled-cluster view
Multireference Nature of Chemistry: The Coupled-Cluster View | Chemical Reviews ACS ACS
Publications C&EN CAS Find my institution Log In Chemical Reviews ACS Publications. Most …
Publications C&EN CAS Find my institution Log In Chemical Reviews ACS Publications. Most …
Twenty years of auxiliary-field quantum Monte Carlo in quantum chemistry: An overview and assessment on main group chemistry and bond-breaking
In this work, we present an overview of the phaseless auxiliary-field quantum Monte Carlo
(ph-AFQMC) approach from a computational quantum chemistry perspective and present a …
(ph-AFQMC) approach from a computational quantum chemistry perspective and present a …
Generalized unitary coupled cluster wave functions for quantum computation
We introduce a unitary coupled-cluster (UCC) ansatz termed k-UpCCGSD that is based on a
family of sparse generalized doubles operators, which provides an affordable and …
family of sparse generalized doubles operators, which provides an affordable and …
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
The variational quantum eigensolver (VQE) algorithm combines the ability of quantum
computers to efficiently compute expectation values with a classical optimization routine in …
computers to efficiently compute expectation values with a classical optimization routine in …
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
GD Purvis, RJ Bartlett - The Journal of Chemical Physics, 1982 - pubs.aip.org
The coupled-cluster singles and doubles model (CCSD) is derived algebraically, presenting
the full set of equations for a general reference function explicitly in spin-<> rbital form. The …
the full set of equations for a general reference function explicitly in spin-<> rbital form. The …
A non-orthogonal variational quantum eigensolver
Variational algorithms for strongly correlated chemical and materials systems are one of the
most promising applications of near-term quantum computers. We present an extension to …
most promising applications of near-term quantum computers. We present an extension to …
[图书][B] Atomic many-body theory
I Lindgren, J Morrison - 2012 - books.google.com
In the new edition only minor modifications have been made. Some print ing errors have
been corrected and a few clarifications have been made. In recent years the activity in …
been corrected and a few clarifications have been made. In recent years the activity in …
Coupled-cluster method for multideterminantal reference states
B Jeziorski, HJ Monkhorst - Physical Review A, 1981 - APS
A general coupled-cluster method valid for arbitrary multideterminantal reference states is
formulated. The resulting cluster expansion for the wave function is a generalization of that …
formulated. The resulting cluster expansion for the wave function is a generalization of that …
A critical assessment of coupled cluster method in quantum chemistry
J Paldus, X Li - Advances in Chemical Physics, 1999 - books.google.com
Abstract I. Introduction A. Historical Outline B. Scope of the Review II. Methodology A. Basic
Notation: Second vs. First Quantization B. Many-Body Perturbation Theory (MBPT): Origins …
Notation: Second vs. First Quantization B. Many-Body Perturbation Theory (MBPT): Origins …
A size-consistent state-specific multireference coupled cluster theory: Formal developments and molecular applications
US Mahapatra, B Datta, D Mukherjee - The Journal of chemical physics, 1999 - pubs.aip.org
In this paper we present a comprehensive account of a manifestly size-consistent coupled
cluster formalism for a specific state, which is based on a reference function composed of …
cluster formalism for a specific state, which is based on a reference function composed of …