Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method.

By Xiaosong Li, M. Frisch. Journal of Chemical Theory and Computation, 2006

432 citations recorded by the source corpus.

Subfields: Electrical and Electronic Engineering, Molecular Biology, Numerical Analysis

View Paper: https://www.semanticscholar.org/paper/c9c77f8613b15a0a0734252ed2abcc1b81fcf6af