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Transforms for idempotency purification of density matrices in linear-scaling electronic-structure calculations

โœ Scribed by A. Holas


Book ID
108312311
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
101 KB
Volume
340
Category
Article
ISSN
0009-2614

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## Abstract A sparse matrix multiplication scheme with multiatom blocks is reported, a tool that can be very useful for developing linearโ€scaling methods with atomโ€centered basis functions. Compared to conventional elementโ€byโ€element sparse matrix multiplication schemes, __efficiency is gained__ by