A mathematical discussion on density and shape functions, vector semispaces and related questions

Abstract:

Density and shape functions are studied from the point of view of vector semispace structure and properties. Useful characteristics based on the shell structure of vector semispaces are used to analyze some properties of both functions. Fukui functions and quantum similarity indices are also studied when basic applications of the theory are discussed. Construction of approximate density functions and pseudo wave functions is also outlined. Finally, the original DFT variational theorem is reformulated within the frame of the shape function.

Año de publicación:

2004

Keywords:

• Pseudo wave functions
• density function
• Shape function
• Quantum Similarity
• DFT
• space shell structure
• Convex sets
• variational DFT theorem
• fukui functions
• vector semispaces

Fuente:

scopus