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

🚀 Solve the time-dependent Schrodinger equation in unbounded domain

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

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

Solving Schroedinger Equation by Numerov Method

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

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.

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

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

Solves one dimensional Schrodinger problem using several methods.

Calculate the Stark effect in Rydberg helium using the Numerov method

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

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

Calculate state properties of helium