Home-made gaussian
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Show full item recordcomunitat-uji-handle:10234/158176
comunitat-uji-handle2:10234/71324
comunitat-uji-handle3:10234/98504
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Title
Home-made gaussianAuthor (s)
Tutor/Supervisor; University.Department
Climente, Juan I.; Universitat Jaume I. Departament de Química Física i AnalíticaDate
2019-06Publisher
Universitat Jaume IAbstract
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 [-]
Description
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2018/2019
Type
info:eu-repo/semantics/bachelorThesisRights
info:eu-repo/semantics/openAccess
This item appears in the folowing collection(s)
- Grau en Química [265]
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