Software update: the ORCA program system, version 4.0-Reference-Cited by-同舟云学术

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Software update: the ORCA program system, version 4.0

Published:2017-07-17 Issue:1 Volume:8 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Neese Frank¹

Affiliation:

1. Abteilung molekulare Theorie und Spektroskopie, Max Planck Institut für Chemische Energiekonversion Mülheim an der Ruhr Germany

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1327

Reference48 articles.

1. The ORCA program system

2. Arbitrary Angular Momentum Electron Repulsion Integrals with Graphical Processing Units: Application to the Resolution of Identity Hartree–Fock Method

3. A toolchain for the automatic generation of computer codes for correlated wavefunction calculations

4. Automatic Generation of Auxiliary Basis Sets

5. Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides

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