Super instruction architecture of petascale electronic structure software: the story-Reference-Cited by-同舟云学术

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Super instruction architecture of petascale electronic structure software: the story

Published:2010-11-10 Issue:21-23 Volume:108 Page:3323-3330
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Lotrich V.F.,Ponton J.M.,Perera A.S.,Deumens E.,Bartlett R.J.,Sanders B.A.

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268976.2010.512566

Reference11 articles.

1. Coupled-cluster theory in quantum chemistry

2. Parallel implementation of electronic structure energy, gradient, and Hessian calculations

3. Efficient electronic integrals and their generalized derivatives for object oriented implementations of electronic structure calculations

4. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

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