[HTML][HTML] Recent developments in the general atomic and molecular electronic structure system
A discussion of many of the recently implemented features of GAMESS (General Atomic and
Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library …
Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library …
Quantum chemistry in the age of quantum computing
Practical challenges in simulating quantum systems on classical computers have been
widely recognized in the quantum physics and quantum chemistry communities over the …
widely recognized in the quantum physics and quantum chemistry communities over the …
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
The latest release of NWChem delivers an open-source computational chemistry package
with extensive capabilities for large scale simulations of chemical and biological systems …
with extensive capabilities for large scale simulations of chemical and biological systems …
Coupled-cluster theory in quantum chemistry
Today, coupled-cluster theory offers the most accurate results among the practical ab initio
electronic-structure theories applicable to moderate-sized molecules. Though it was …
electronic-structure theories applicable to moderate-sized molecules. Though it was …
Coupled-cluster computations of atomic nuclei
In the past decade, coupled-cluster theory has seen a renaissance in nuclear physics, with
computations of neutron-rich and medium-mass nuclei. The method is efficient for nuclei …
computations of neutron-rich and medium-mass nuclei. The method is efficient for nuclei …
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 …
NWChem: Past, present, and future
Specialized computational chemistry packages have permanently reshaped the landscape
of chemical and materials science by providing tools to support and guide experimental …
of chemical and materials science by providing tools to support and guide experimental …
[BOOK][B] Intermolecular interactions: physical picture, computational methods and model potentials
IG Kaplan - 2006 - books.google.com
The subject of this book—intermolecular interactions—is as important in physics as in
chemistry and molecular biology. Intermolecular interactions are responsible for the …
chemistry and molecular biology. Intermolecular interactions are responsible for the …
Structure of the lightest tin isotopes
We link the structure of nuclei around Sn 100, the heaviest doubly magic nucleus with equal
neutron and proton numbers (N= Z= 50), to nucleon-nucleon (NN) and three-nucleon (NNN) …
neutron and proton numbers (N= Z= 50), to nucleon-nucleon (NN) and three-nucleon (NNN) …
Efficient computer implementation of the renormalized coupled-cluster methods: the r-ccsd [t], r-ccsd (t), cr-ccsd [t], and cr-ccsd (t) approaches
The recently proposed renormalized (R) and completely renormalized (CR) coupled-cluster
(CC) methods of the CCSD [T] and CCSD (T) types have been implemented using …
(CC) methods of the CCSD [T] and CCSD (T) types have been implemented using …