Banca de QUALIFICAÇÃO: CAIO OLIVEIRA DA SILVA

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE : CAIO OLIVEIRA DA SILVA
DATA : 14/12/2021
HORA: 14:00
LOCAL: Por participação remota: https://meet.google.com/dyg-kkqx-yju
TÍTULO:

Optimisation of the Hartree-Fock wave function based on the Riemannian Geometry of the Grassmannian

PÁGINAS: 20
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Matemática
SUBÁREA: Matemática Aplicada
ESPECIALIDADE: Física Matemática
RESUMO:

The objective of the present project is to develop and implement a new method do optimise the Hartree-Fock wave function. Such method can be seen as a particular case of the Riemann-Newton Method to Rayleigh quotients and uses, essentially, tools from Riemannian Geometry, Linear Algebra and lots of other subfields from Quantum Chemistry and Mathematics.

The Riemann-Newton Method is a generalization of the well known Newton Method to the case in which the function to be optimised is defined in a Riemannian manifold. Such optimisation is possible, because the Riemannian structure of the space allows the definition of the gradient of the function to be optimised and the geodesics of the space allows the search for the critical points of the function.

Besides the implementation of the Riemann-Newton Method, this project also aims to study and compare the relationship between this method and other methods used to optimise the Hartree-Fock wave function, because this will allow us to verify if the method developed is more effective, faster etc.

MEMBROS DA BANCA:
Presidente - Interno ao Programa - 312.257.708-90 - YURI ALEXANDRE AOTO - NENHUMA
Membro Titular - Examinador(a) Interno ao Programa - 3078509 - RAFAEL SANTOS DE OLIVEIRA ALVES
Membro Titular - Examinador(a) Externo à Instituição - ROGÉRIO CUSTODIO
Membro Suplente - Examinador(a) Interno ao Programa - 3078372 - ICARO GONCALVES
Membro Suplente - Examinador(a) Externo ao Programa - 2604830 - MARCIO FABIANO DA SILVA