WolframChemistry/ QuantumChemistry

Quantum Chemistry and Electronic Structure Functions

Contributed by: Jason Biggs, Wolfram Research

Compute electronic structure in the Wolfram Language.

Installation Instructions

To install this paclet in your Wolfram Language environment, evaluate this code:
PacletInstall["WolframChemistry/QuantumChemistry"]

To load the code after installation, evaluate this code:
Needs["WolframChemistry`QuantumChemistry`"]

Examples

Basic Examples

In[1]:=

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