Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences-Reference-Cited by-同舟云学术

Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

Published:2013-07-04 Issue:18 Volume:113 Page:2110-2142
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Bochevarov Art D.¹,Harder Edward¹,Hughes Thomas F.¹,Greenwood Jeremy R.¹,Braden Dale A.²,Philipp Dean M.²,Rinaldo David³,Halls Mathew D.⁴,Zhang Jing⁵,Friesner Richard A.⁵

Affiliation:

1. Schrödinger Inc120 West 45th St, 17th floorNew York New York10036

2. Schrödinger Inc101 SW Main Street, Suite 1300 Portland, Oregon97204

3. Schrödinger GmbHDynamostrasse 13D‐68165 Mannheim Germany

4. Schrödinger Inc, 8910 University Center LaneSuite 270San Diego California92122

5. Department of Chemistry, Columbia University3000 Broadway New York New York10027

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.24481

Reference292 articles.

1. Solution of self-consistent field electronic structure equations by a pseudospectral method

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3. Solution of the Hartree–Fock equations for polyatomic molecules by a pseudospectral method

4. An automatic grid generation scheme for pseudospectral self-consistent field calculations on polyatomic molecules

5. Pseudospectral Hartree–Fock calculations on glycine

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