Density functional theory calculations of molecular structures and harmonic vibrational frequencies using hybrid density functionals
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference9 articles.
1. Approximate density functional theory as a practical tool in molecular energetics and dynamics
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3. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
4. Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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