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Materials Science and Engineering B

Volumn 37, Issue 1-3, 1996, Pages 219-223

A computationally efficient differentiable tight-binding energy functional

(1) Horsfield, A P a

a UNIVERSITY OF OXFORD (United Kingdom)

Author keywords

Linear scaling; Molecular dynamics; Silicon; Tight binding

Indexed keywords

ATOMS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRONIC DENSITY OF STATES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; RELAXATION PROCESSES; SEMICONDUCTING SILICON; SURFACES;

COHESIVE ENERGIES; HAMILTONIAN MATRIX; JAHN-TELLER DISTORTION; LINEAR SCALING; TIGHT BINDING ENERGY;

BINDING ENERGY;

EID: 0000724875 PISSN: 09215107 EISSN: None Source Type: Journal
DOI: 10.1016/0921-5107(96)01492-4 Document Type: Article

Times cited : (20)

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