Skip to content
Log in
Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Alexander Yu. Sokolov

View on Semantic Scholar

2 papers indexed here

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

Preprint Aug 2026

Decoding Transient X-ray Absorption Spectra of Acetylacetone With Multireference Algebraic Diagrammatic Construction Theory

Time-resolved X-ray absorption spectroscopy (TR-XAS) offers an element- and site-specific probe of coupled electronic and nuclear dynamics, but its interpretation requires methods that can treat multiconfigurational excited states across nonequilibrium nuclear ensembles. Here, we report time-resolved simulations of the...

Bennett W. Clark, Donna H. Odhiambo, Haden Dickerson et al. · 0 citations
Preprint Sep 2026

Accelerating Periodic Coupled Cluster and Algebraic Diagrammatic Construction Theories With Frozen Natural Orbitals

We present a unified frozen natural orbital (FNO) framework for periodic Gaussian-orbital post-Hartree-Fock calculations with explicit k-point sampling. The approach includes conventional ground-state FNOs together with state-specific (SS-FNO) and state-averaged (SA-FNO) variants constructed from perturbative one-parti...

Ning-Yuan Chen, J. Serna, Alexander Yu. Sokolov · 0 citations

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.