Applications of inward matrix products and matrix wave functions to Hückel MO theory, Slater extended wave functions, spin extended functions, and Hartree method

Abstract:

Applications of inward matrix products and matrix wave functions to Hückel molecular orbital (HMO) theory was presented. The spin orbitals were presented as a matrix signature option, associated with an extended wave function in matrix form, common to both Hückel and Hartree theory. The results indicated that possible construction of a wave function class made of square matrices could be safely employed in the HMO theory and a basic structure from where the Hartree permanent Slater determinant functions could be deduced.

Año de publicación:

2003

Keywords:

• Hückel method
• Hartree permanents
• Hartree method
• Extended spin functions
• Matrix signature
• Extended wave functions
• Slater determinants
• Inward matrix product
• Fuzzy sign

Fuente:

scopus