Exact nonadditive kinetic potentials for embedded density functional theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3474575
Reference56 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. Accurate ab initio energetics of extended systems via explicit correlation embedded in a density functional environment
4. One-Electron Equations for Embedded Electron Density: Challenge for Theory and Practical Payoffs in Multi-Level Modelling of Complex Polyatomic Systems
5. Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states
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