DePrince Lab
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deprincelab.bsky.social
DePrince Lab
@deprincelab.bsky.social
61 followers 48 following 6 posts
https://deprincelab.github.io/
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deprincelab.bsky.social
We're going to take a day to do something fun in my "programming for chemists" class next week - conway's game of life!
October 18, 2025 at 3:04 PM
deprincelab.bsky.social
Our paper on relativistic DIP-EOM-CC with up to full triple excitations has been published in J. Chem. Phys. Check it out! doi.org/10.1063/5.02...
Relativistic two-component double ionization potential equation-of-motion coupled cluster with the Dirac–Coulomb–Breit Hamiltonian
We present an implementation of relativistic double ionization potential (DIP) equation-of-motion coupled cluster (EOMCC) with up to 4-hole–2-particle (4h2p) ex
doi.org
September 9, 2025 at 6:08 PM
deprincelab.bsky.social
I should post more here ... check out this recent paper from our group exploring how electric dipole polarizabilities and hyperpolarizabilities can be modified in cavity QED environments:

doi.org/10.1021/acs....
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
First-order electric dipole response functions are implemented for cavity quantum electrodynamics (QED) generalizations of Hartree–Fock (HF) and Kohn–Sham density functional theory (DFT) in order to a...
doi.org
August 21, 2025 at 8:11 PM
deprincelab.bsky.social
My kids have the flu. Unrelated, did you know that there are 78 episodes of Lion Guard?
February 11, 2025 at 2:51 AM
deprincelab.bsky.social
Christmas came early!
December 15, 2024 at 1:49 PM
deprincelab.bsky.social
First post here … DePrince group, fall 2024. Welcome, Varuna! Good bye and good luck at PNNL, Marcus!
November 22, 2024 at 2:23 AM