Abstract
AbstractUtilization of the equivalent core may be of great help in the determination of excitation energies for condensed systems. This method presents a small difference in the excitation potential in relation to the experimental values, thus, enabling a better symmetry assignment for the excitations involved in the process. With the help of (Z+1)‐core model, we estimated the absorption position and the symmetry for the discrete core‐excitation state of the Cl K edge on SiCl4 and were able to understand the process of selective fragmentation for condensed systems with good calculation approximation. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
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.
