Analytic projection from plane‐wave and PAW wavefunctions and application to chemical‐bonding analysis in solids

By Stefan Maintz, Volker L. Deringer, A. Tchougréeff, Richard Dronskowski. Journal of Computational Chemistry, 2013

1,498 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/1f76827b03ad39ddf6f2cc5675aafb2fc0d996f9

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In Atomic and Molecular Physics, and Optics

1. S. Steinberg
2. Richard Dronskowski

In Materials Chemistry

1. S. Steinberg
2. Richard Dronskowski

Citations in the corpus

• The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds (2018, background): “de free of charge and compatible with a growing list of quantum-mechanical programs (VASP [32–36], ABINIT [37–40], Quantum ESPRESSO [41,42]) to extract the information regarding the nature of bonding from the electronic-structure computations [22,23,43,44].”