Supplemental Material

AIP Publishing 2026 Open access

Read full text
Authors: Jonathan H. Fetherolf, Fabijan Pavošević, Sharon Hammes‐Schiffer
DOI: 10.60893/figshare.jcp.30978445
Cited by: 0

Abstract

Programmable equations for the matrix elements of the NEO-CC2 Jacobian; protonic excitation energies using alternative electron-proton correlation scaling factors; comparison with NEO-EOM-CCSD for HCN with different conventional basis sets; protonic excitation energies as a function of scaling factors.

Fields of Study & Subjects

Advanced Chemical Physics Studies Spectroscopy and Quantum Chemical Studies Atomic and Molecular Physics

Publication details

Journal / source
AIP Publishing
Publication date
27 January 2026