47 citations · 108 across the 3 of their papers we have counts for
4 papers
Mass-independent analysis of the stable isotopologues of gas-phase titanium monoxide -- TiO
Alexander A. Breier, Björn Waßmuth, Guido W. Fuchs +2
More than 130 pure rotational transitions of TiO, TiO, TiO, TiO, TiO, and TiO are recorded using a high-resolution mm-wave superson…
A Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals
Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
In this contribution, we present the implementation of a second-order CASSCF algorithm in conjunction with the Cholesky decomposition of the two-electron repulsion integrals. The a…
Generalized Many-Body Expanded Full Configuration Interaction Theory
Janus J. Eriksen, Jürgen Gauss
Facilitated by a rigorous partitioning of a molecular system's orbital basis into two fundamental subspaces - a reference and an expansion space, both with orbitals of unspecified…
The empirical equilibrium structure of diacetylene
S. Thorwirth, M. E. Harding, D. Muders +1
High-level quantum-chemical calculations are reported at the MP2 and CCSD(T) levels of theory for the equilibrium structure and the harmonic and anharmonic force fields of diacetyl…