The purpose of this thesis is to implement three numerical methods for solving and examining the time-dependent Schrödinger equation (TDSE) of the analytically solved quantum harmonic oscillator (QHO) and the, to our knowledge, analytically unsolved double well potential (DW), and to compare the numerical solutions. These methods are the Crank-Nicolson method and two split operator methods of different orders. For the QHO, the exact solution is used to determine the errors of the methods, while other methods for examining the DW had to be used (due to the lack of exact solutions). The solutions converged for the QHO, and depending the desired accuracy, either the Crank-Nicolson method or the modified split operator method were the most effe...
This thesis explores the possibility of using parallel algorithms to calculate the dynamics of drive...
In this work we look at two different 1-dimensional quantum systems. The potentials for these system...
This thesis explores the possibility of using parallel algorithms to calculate the dynamics of drive...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
This work focuses on numerical solutions to quantum systems. I describe the background in quantum m...
We consider computational methods for simulating the dynamics of molecular systems governed by the t...
Ground- and excited-state energies as well as probability densities of quantum-mechanical anharmonic...
This article explains and illustrates the use of a set of coupled dynamical equations, second order ...
The nonlinear Schrödinger equations (NLS) are used in modeling several physical phenomena such as Bo...
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020Quantum chemistry is a centr...
The nonlinear Schrödinger equations (NLS) are used in modeling several physical phenomena such as Bo...
This project enumerates methods utilizing discretized centered-difference approximations on the seco...
The behavior of particles at the atomic level is dictated by quantum theory and must satisfy the Sch...
This thesis explores the possibility of using parallel algorithms to calculate the dynamics of drive...
In this work we look at two different 1-dimensional quantum systems. The potentials for these system...
This thesis explores the possibility of using parallel algorithms to calculate the dynamics of drive...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
This work focuses on numerical solutions to quantum systems. I describe the background in quantum m...
We consider computational methods for simulating the dynamics of molecular systems governed by the t...
Ground- and excited-state energies as well as probability densities of quantum-mechanical anharmonic...
This article explains and illustrates the use of a set of coupled dynamical equations, second order ...
The nonlinear Schrödinger equations (NLS) are used in modeling several physical phenomena such as Bo...
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020Quantum chemistry is a centr...
The nonlinear Schrödinger equations (NLS) are used in modeling several physical phenomena such as Bo...
This project enumerates methods utilizing discretized centered-difference approximations on the seco...
The behavior of particles at the atomic level is dictated by quantum theory and must satisfy the Sch...
This thesis explores the possibility of using parallel algorithms to calculate the dynamics of drive...
In this work we look at two different 1-dimensional quantum systems. The potentials for these system...
This thesis explores the possibility of using parallel algorithms to calculate the dynamics of drive...