A Schroedinger Equation solver in C++, with flexible basis definition

Density Functional Theory in real space, for atoms, LDA and LSDA

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

Augmented Plane Waves (both APW and LAPW), band structure computation

Scattering on a Lennard-Jones potential, cross-section computation.

🚀 Solve the time-dependent Schrodinger equation in unbounded domain

Library to calculate Stark and Zeeman maps for Rydberg helium, in either the n,L,S,m_L or n,L,S,J,m_J basis, using the Numerov method.

Solves one dimensional Schrodinger problem using several methods.

Calculate state properties of helium

Create animations of the Rydberg electron charge distribution in helium as a function of electric field using the Numerov method

Calculate the Stark effect in Rydberg helium using the Numerov method

Solving Schroedinger Equation by Numerov Method

Calculate the Stark effect in Rydberg helium in the n,L,S,ML basis using the Numerov method.

Calculate the Stark effect in Rydberg helium in the n,L,S,J,MJ basis using the Numerov method.