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Variational Quantum Eigensolver (VQE) Example
(Some) COVID-19 deaths are probably vastly underreported pending
What does Trump talk about when he talks about COVID-19?
Neural Networks by Analogy with Linear Regression
Real-Time Time-Dependent Electronic Structure Theory
The Magnus Expansion
A (hopefully) gentle guide to the computer implementation of molecular integrals over Gaussian basis functions.
Quantum Dynamics Movies
Easy transparent SSH tunnels
Moving from Wordpress to Jekyll
New NFL team ranking program available
Embarassingly parallel tasks in Python
Biorthogonalizing left and right eigenvectors the easy (lazy?) way
Several New Papers now Online
Broken Symmetries in Hartree-Fock
Linear Response Coupled Cluster
Metal-Organic Frameworks Paper Now Online
Dirac Hartree Fock equations
Understanding the Relativistic Dirac Equation for a Free Particle
“We can calculate everything”
New paper published!
Computing absorption spectra
Research code dump!
Fragment generator for polypeptide mass-spectroscopy
Data Munging with Pandas
Colley Method for Ranking NFL Teams
Gaussian Matrix Parser
Monte Carlo Simulation of the “Bookshelf” Problem
Coupled Cluster with Singles and Doubles (CCSD) in Python
Equation of Motion (EOM) derivation of RPA
Polarization Propagator Derivation of TDHF/RPA
Derivation of general polarization propagator methods
MP2 with Python
TDHF + CIS in Python
Efficient Two-Electron Integral Transformations in Python, or, Adventures in Scaling
Awk Script for Gaussian TD-DFT/TD-HF Analysis
Derivation of Time Dependent Hartree-Fock (TDHF) Equations
Alternate derivation of linear response function
Linear Response TD-DFT: The density-density response function
Hartree-Fock Self Consistent Field Procedure