Hybrid Extended Lagrangian, Post-Hartree–Fock Born–Oppenheimer ab Initio Molecular Dynamics Using Fragment-Based Electronic Structure

标题
Hybrid Extended Lagrangian, Post-Hartree–Fock Born–Oppenheimer ab Initio Molecular Dynamics Using Fragment-Based Electronic Structure
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 12, Issue 6, Pages 2493-2508
出版商
American Chemical Society (ACS)
发表日期
2016-05-11
DOI
10.1021/acs.jctc.6b00001

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