156 citations · 683 across the 16 of their papers we have counts for
4 papers · 1 filter
Incremental Treatments of the Full Configuration Interaction Problem
Janus J. Eriksen, Jürgen Gauss
The recent many-body expanded full configuration interaction (MBE-FCI) method is reviewed by critically assessing its advantages and drawbacks in the context of contemporary near-e…
Ground and Excited State First-Order Properties in Many-Body Expanded Full Configuration Interaction Theory
Janus J. Eriksen, Jürgen Gauss
The recently proposed many-body expanded full configuration interaction (MBE-FCI) method is extended to excited states and static first-order properties different from total, groun…
The Ground State Electronic Energy of Benzene
Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua +21
We report on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground state energy of the benzene molecule in a standar…
Determination of accurate rest frequencies and hyperfine structure parameters of cyanobutadiyne, HCN
Thomas F. Giesen, Michael E. Harding, Jürgen Gauss +2
Very accurate transition frequencies of HCN were determined between 5.3 and 21.4 GHz with a Fourier transform microwave spectrometer. The molecules were generated by passing a…