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Design and application of the Meta-GGA and range-separated hybrid exchange-correlation functionals

Patra, Bikash

Design and application of the Meta-GGA and range-separated hybrid exchange-correlation functionals - Bhubaneswar: NISER, 2021. - xxv,119p. pb.

Subjects--Topical Terms:
META-GGA
THOMAS - FERMI THEORY
HARTREE INTERACTION
SCHRODINGER EQUATION
DENSITY FUNCTIONAL THEORY (DFT)
HARTREE - FOCK (HF) THEORY
EXCHANGE - CORRELATION FUNCTIONAL
BAND GAP OF SOLID - STATE SYSTEMS
HYDROGEN HOLE DENSITY
PAULI KINETIC ENERGY DENSITY

Dewey Class. No.: 530.1 / PAT-D

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