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Relaxation of Crystals with the Quasi-Newton Method

Journal of Computational Physics · 1997 · Vol. 131(1) · pp. 233–240
Bernd PfrommerMichel CôtéSteven G. LouieMarvin L. Cohen
Mechanical and Optical ResonatorsAcoustic Wave Resonator TechnologiesForce Microscopy Techniques and ApplicationsBrillouin zoneHessian matrixPhononRelaxation (psychology)Condensed matter physicsInverseMathematical analysisPhysicsLattice (music)Symmetry (geometry)
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References
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Physical review. B, Solid state · 1976 · 68,828 citations
Efficient pseudopotentials for plane-wave calculations
Physical review. B, Condensed matter · 1991 · 15,969 citations
Unified Approach for Molecular Dynamics and Density-Functional Theory
Physical Review Letters · 1985 · 10,613 citations
Thermodynamics of Crystals
American Journal of Physics · 1972 · 1,484 citations
The Compressibility of Media under Extreme Pressures
Proceedings of the National Academy of Sciences · 1944 · 8,447 citations
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