Abstract
AbstractAny matrix can be expanded on a basis of SU(2) normalized irreducible tensorial matrices, NITM, defined in terms of 3‐j symbols or coupling coefficients of SU(2). The NITM transform under rotations according to Wigner's matrices. If one dimension of an NITM is odd and the other even, the tensor has half‐integer rank. A simple NITM basis consists of all NITM having the same numbers of rows and columns as the expanded matrix. A compound NITM basis consists of two or more simple bases, each spanning a corresponding block in the expanded matrix. The choice of NITM basis for expanding an effective Hamiltonian matrix is a crucial step in formulating a model. To illustrate the use of a compound NITM basis, including nonsquare NITM, an effective sp‐type overlap‐free superposition Hamiltonian is constructed and applied to the photoelectron ionization potential spectrum of water.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
