This article explains and illustrates the use of a set of coupled dynamical equations, second order in a fictitious time, which converges to solutions of stationary Schrödinger equations with additional constraints. In fact, the method is general and can solve constrained minimization problems in many fields. We present the method for introductory applications in quantum mechanics including three qualitative different numerical examples: the radial Schrödinger equation for the hydrogen atom; the 2D harmonic oscillator with degenerate excited states; and a nonlinear Schrödinger equation for rotating states. The presented method is intuitive, with analogies in classical mechanics for damped oscillators, and easy to implement, either with codi...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
We consider computational methods for simulating the dynamics of molecular systems governed by the t...
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 ...
Abstract. In this contribution, we introduce numerical continuation methods and bifurcation theory, ...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
abstract: In the traditional setting of quantum mechanics, the Hamiltonian operator does not depend ...
Author Institution: Department of Chemistry, Bowdoin CollegeNumerical calculations of the vibrationa...
The celebrated Schrödinger equation is the key to understanding the dynamics of quantum mechanical p...
The purpose of this thesis is to implement three numerical methods for solving and examining the tim...
The coupled quantum harmonic oscillator is one of the most researched and important model systems in...
In this paper, we investigate and solve a complicated highly nonlinear differential equations of Sch...
In the traditional setting of quantum mechanics, the Hamiltonian operator does not depend on time. W...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
We consider computational methods for simulating the dynamics of molecular systems governed by the t...
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 ...
Abstract. In this contribution, we introduce numerical continuation methods and bifurcation theory, ...
This project is an immersive study in numerical methods, focusing on quantum molecular dynamics and ...
abstract: In the traditional setting of quantum mechanics, the Hamiltonian operator does not depend ...
Author Institution: Department of Chemistry, Bowdoin CollegeNumerical calculations of the vibrationa...
The celebrated Schrödinger equation is the key to understanding the dynamics of quantum mechanical p...
The purpose of this thesis is to implement three numerical methods for solving and examining the tim...
The coupled quantum harmonic oscillator is one of the most researched and important model systems in...
In this paper, we investigate and solve a complicated highly nonlinear differential equations of Sch...
In the traditional setting of quantum mechanics, the Hamiltonian operator does not depend on time. W...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent...