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High Performance Computing in Chemistry

High Performance Computing in Chemistry
Language:
Author: edited by Johannes Grotendorst
Url: http://www.fz-juelich.de/nic-series/volume25/volume25.html
Format: Pdf
Year: 2004
Category: Computational Chemistry
Pages: 160
Clicks: 93

Description
Contents: DFT Functionality in TURBOMOLE; QUI CKSTEP: Make the Atoms Dance; Local Electron Correlation Methods with Density Fitting in MOLPRO; Parallel DFT in TURBOMOLE, Linear Algebra; Continuous Fast Multipole Method; Conductor-like Screening Model.

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