#

theoretical-spectroscopy

Here are 5 public repositories matching this topic...

mcocdawc / chemcoord

A python module for manipulating cartesian and internal coordinates.

python chemistry cheminformatics physics python-library chemical physics-simulation theoretical-spectroscopy

Updated May 8, 2024
Python

chjacob-tubs / Vibrations

Vibrations - a Python Code for Anharmonic Theoretical Vibrational Spectroscopy

computational-chemistry theoretical-spectroscopy vibrational-spectroscopy

Updated Jul 4, 2023
Python

chjacob-tubs / LocVib

Python tools for localizing normal modes

computational-chemistry theoretical-spectroscopy vibrational-spectroscopy

Updated Jul 17, 2023
Python

mxz2013 / CumuPy

A python code to compute the cumulante expansion of the Green's function for photoemission spectroscopy

python theoretical-spectroscopy green-funciton abinit cumulant

Updated Oct 23, 2019
Python

CFEL-CMI / cmistark

Stark effect calculations for molecules in dc electric fields

science chemistry physics quantum-mechanics molecule computational-physics theoretical-spectroscopy desy uhh cmi stark-effect cfel

Updated May 6, 2024
Python

Improve this page

Add a description, image, and links to the theoretical-spectroscopy topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the theoretical-spectroscopy topic, visit your repo's landing page and select "manage topics."