Fast NDDO Method for Molecular Structure Calculations Based on Strictly Localized Geminals-Reference-Cited by-同舟云学术

Fast NDDO Method for Molecular Structure Calculations Based on Strictly Localized Geminals

Published:2002-12-28 Issue:3 Volume:107 Page:358-365
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Tokmachev Andrei M.¹,Tchougréeff Andrei L.¹

Affiliation:

1. Karpov Institute of Physical Chemistry, 10 Vorontsovo pole, 105064 Moscow, Russia, and Center for Computational Chemistry at the Keldysh Institute for Applied Mathematics of RAS, 4 Miusskaya pl., 125047 Moscow, Russia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0265034

Reference81 articles.

1. An Extended Hückel Theory. I. Hydrocarbons

2. Extended Hückel Theory. II. σ Orbitals in the Azines

3. Density Functional and Density Matrix Method Scaling Linearly with the Number of Atoms

4. Decay properties of the finite-temperature density matrix in metals

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