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Advanced density functionals based on model exchange holes for a wide range of molecular and sold state systems

Patra, Abhilash

Advanced density functionals based on model exchange holes for a wide range of molecular and sold state systems - Bhubaneswar: NISER, 2021 - xxviii,147p.


BANDGAP CALCULATION
DENSITY FUNCTIONAL THEORY (DFT)
PARABOLIC QUANTUM DOTS
THE HOHENBERG -KOHN FORMULATION
LOCAL DENSITY APPROXIMATION (LDA)
DENSITY MATRIX EXPANSION
PARAMETERIZED SEMILOCAL EXCHANGE
LOCAL - DENSITY LINEAR RESPONSE
MOLECULAR AND SOLID STATE SYSTEMS
MODEL EXCHANGE HOLE

533.6.055 / PAT-A

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