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Q-Chem: an engine for innovation

Date

Authors

Krylov, Anna

Gill, Peter

Publisher

John Wiley & Sons Inc

Abstract

Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on regular laboratory workstations using density functional

Keywords

Keywords: Density functionals; Development platform; Electronically excited state; Fast calculations; Graphical interface; Innovative algorithms; Large system; Open-shell systems; Technology; Electronic structure

URI

http://hdl.handle.net/1885/63114

Collections

ANU Research Publications

Source

Wiley Interdisciplinary Reviews - Computational Molecular Science

Type

Journal article

DOI

10.1002/wcms.1122

Restricted until

2037-12-31

Downloads

File

Description

01_Krylov_Q-Chem:_an_engine_for_2013.pdf (490.73 KB)