Embedded density functional theory for covalently bonded and strongly interacting subsystems
Author:
Funder
Office of Naval Research
Army Research Office
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3582913
Reference63 articles.
1. Self-consistently determined properties of solids without band-structure calculations
2. Frozen density functional approach for ab initio calculations of solvated molecules
3. One-Electron Equations for Embedded Electron Density: Challenge for Theory and Practical Payoffs in Multi-Level Modelling of Complex Polyatomic Systems
4. Accurate ab initio energetics of extended systems via explicit correlation embedded in a density functional environment
5. Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
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