Implementation of pople basis sets in FIESTA(*) : (the Filipino initiative on electronic structure theory and applications)

• Main Authors: Lambengco, Gillano G., Tanhueco, Bea Katrina P.
• Format: text
• Language: English
• Published: Animo Repository 2014
• Subjects: Electronic structure; Biochemistry
• Online Access: https://animorepository.dlsu.edu.ph/etd_bachelors/5459
• Institution: De La Salle University

The incorporation of Pople basis sets serves as an extension of FIESTA (Filipino Initiative on Electronic Structure Theory and Applications), a computational chemistry software being developed in the Philippines which uses minimal basis sets (STO-1G, STO-2G, STO-3G). The software carries out Hartree...