All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals (Q311588)
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scientific article; zbMATH DE number 6626814
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| English | All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals |
scientific article; zbMATH DE number 6626814 |
Statements
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals (English)
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13 September 2016
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stress tensor
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strain derivatives
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density-functional theory
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hybrid functionals
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atom-centered basis functions
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0.7301070094108582
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0.6617887020111084
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0.6530541777610779
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0.6457511186599731
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