O(N3) scaling of two‐electron integrals during molecular geometry optimization
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.467065
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1. Computational complexity of the ground-state determination of atomic clusters
2. Cluster optimization simplified by interaction modification
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5. Optimization of equilibrium geometries and transition structures
Cited by 4 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Theoretical Methods of Potential Use for Studies of Inorganic Reaction Mechanisms;Chemical Reviews;2005-04-21
2. Tools of the trade in modeling inorganic reactions. From balls and sticks to HOMO's and LUMO'sBased on the presentation given at Dalton Discussion No. 4, 10–13th January 2002, Kloster Banz, Germany.;Journal of the Chemical Society, Dalton Transactions;2002-01-25
3. A comparison of Car—Parrinello and Born—Oppenheimer generalized valence bond molecular dynamics;Chemical Physics Letters;1995-06
4. Orbital‐based direct inversion in the iterative subspace for the generalized valence bond method;The Journal of Chemical Physics;1995-01-15
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