Home-made gaussian
Visualitza/
Metadades
Mostra el registre complet de l'elementcomunitat-uji-handle:10234/158176
comunitat-uji-handle2:10234/71324
comunitat-uji-handle3:10234/98504
comunitat-uji-handle4:
TFG-TFMMetadades
Títol
Home-made gaussianAutoria
Tutor/Supervisor; Universitat.Departament
Climente, Juan I.; Universitat Jaume I. Departament de Química Física i AnalíticaData de publicació
2019-06Editor
Universitat Jaume IResum
This project consists in a exploration about some aspects in quantum chemistry and
how it can use an approximated method to give solution to some quantum models without
analytical solution.
To begin with, the reader ... [+]
This project consists in a exploration about some aspects in quantum chemistry and
how it can use an approximated method to give solution to some quantum models without
analytical solution.
To begin with, the reader will be able to know the basis and the background of a
Gaussian-software quantum resolution method in this project The reader will also be able to
deepen in one of the methods of algebraic resolution with most elegant mono electronic
systems used in quantum mechanics, called factorization method.
Therefore, one of the main objectives in this project is also to get acquainted with some of
the basic research methods in chemistry as well as to learn to have a critical view. In
general, this project consist in creating a computer programme based on Gaussians and
variational principle in order to give solution to some quantum systems [-]
Paraules clau / Matèries
Descripció
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2018/2019
Tipus de document
info:eu-repo/semantics/bachelorThesisDrets d'accés
info:eu-repo/semantics/openAccess
Apareix a les col.leccions
- Grau en Química [265]
Els següents fitxers sobre la llicència estan associats a aquest element: