Avoiding singularity problems associated with meta-GGA (generalized gradient approximation) exchange and correlation functionals containing the kinetic energy density

Journal of Chemical Physics

Volumn 127, Issue 21, 2007, Pages

  Gräfenstein, Jürgen ^a   Izotov, Dmitry ^b   Cremer, Dieter ^b  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b UNIVERSITY OF THE PACIFIC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; CORRELATION THEORY; KINETIC ENERGY;

CORRELATION FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATION; KINETIC ENERGY DENSITY; SINGULARITY;

GRADIENT METHODS;

EID: 36849057531     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2800011     Document Type: Article

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