Author

O. Jonathan Fajen

Observed names: Fajen, O. Jonathan, Fajen, Otto, Fajen, Otto Jonathan

Institutions: Los Alamos National Laboratory, SLAC National Accelerator Laboratory, Stanford University

Observed institutions: Los Alamos National Laboratory, SLAC National Accelerator Laboratory, University of Missouri, Stanford University

ORCID: 0009-0002-9743-3787

Observed ORCID: 0009-0002-9743-3787

OpenAlex ID: A5029200126

Multicomponent CASSCF Revisited: Large Active Spaces Are Needed for Qualitatively Accurate Protonic Densities

2021 · O. Jonathan Fajen, Kurt R. Brorsen · Journal of Chemical Theory and Computation · 37

PDF

Systematic Investigation of the Molecular and Electronic Structure of Thorium and Uranium Phosphorus and Arsenic Complexes

2021 · Michael L. Tarlton, O. Jonathan Fajen, et al. · Inorganic Chemistry · 21

Separation of electron–electron and electron–proton correlation in multicomponent orbital-optimized perturbation theory

2020 · O. Jonathan Fajen, Kurt R. Brorsen · The Journal of Chemical Physics · 20

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications

2024 · Yuanheng Wang, Diptarka Hait, et al. · The Journal of Chemical Physics · 19

PDF

Thorium(IV) and Uranium(IV) Phosphaazaallenes

2019 · Pokpong Rungthanaphatsophon, O. Jonathan Fajen, et al. · Inorganics · 19

PDF

Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methods

2021 · O. Jonathan Fajen, Kurt R. Brorsen · The Journal of Chemical Physics · 18

PDF

Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning

2024 · Diptarka Hait, Dean Lahana, et al. · The Journal of Chemical Physics · 16

PDF

Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory

2024 · Eirik F. Kjønstad, O. Jonathan Fajen, et al. · Nature Communications · 12

PDF

Perspective on a challenge: Predicting the photochemistry of cyclobutanone

2026 · Jiří Janoš, Nanna Holmgaard List, et al. · The Journal of Chemical Physics · 4

Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory

2024 · Kjønstad, Eirik F., Fajen, O. Jonathan, et al. · arXiv (Cornell University) · 2

PDF

Perspective on a challenge: predicting the photochemistry of cyclobutanone

2026 · Janoš, Jiří, List, Nanna Holmgaard, et al. · arXiv (Cornell University) · 1

PDF

Shadow excited state molecular dynamics with the ΔSCF method

2026 · O. Jonathan Fajen, Oscar Grånäs, et al. · The Journal of Chemical Physics · 1

Latent unified smooth Hamiltonians for excited state chemistry

2026 · Juergens, David, Stöhr, Martin, et al. · arXiv (Cornell University)

PDF

Developing methods for the accurate and efficient simulation of photochemistry

2026 · Fajen, Otto Jonathan, Martinez, Todd J. (Todd Joseph), 1968-, et al. · Stanford Digital Repository

Perspective on a challenge: Predicting the photochemistry of cyclobutanone

2026 · Janoš, Jiří, List, Nanna Holmgaard, et al. · Repository for Publications and Research Data (ETH Zurich)

Spectroscopic photorelaxation signatures in pyrazine from nonadiabatic dynamics simulations with coupled cluster theory

2026 · Angelico, Sara, Kjønstad, Eirik F., et al. · arXiv (Cornell University)

PDF

Clean Supplemental Information PDF file

2026 · Fajen, Otto, Grånäs, Oscar, et al. · AIP Publishing

Shadow excited state molecular dynamics with the ∆SCF method

2026 · Grånäs, Oscar, Martinez, Todd, et al. · AIP Publishing

Accelerating CCSD(T) on Graphical Processing Units (GPUs)

2026 · O. Jonathan Fajen, Joseph E. Kelly, et al. · The Journal of Physical Chemistry A

PDF

Clean TeX file for supporting information.

2026 · Admin, AIP, Fajen, Otto, et al. · AIP Publishing

CCDC 1998117: Experimental Crystal Structure Determination