42 citations · 181 across the 8 of their papers we have counts for
8 papers
Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of
Maciej Spiegel, Emmanouil Semidalas, Jan M. L. Martin +2
The importance of post-CCSD(T) corrections as high as CCSDTQ56 for ground-state spectroscopic constants (, , , and ) has been surveyed for a sample of two do…
Theoretical Prediction of Magnetic Exchange Coupling Constants from Broken-Symmetry Coupled Cluster Calculations
Henry F. Schurkus, Dian-Teng Chen, Hai-Ping Cheng +2
Exchange coupling constants () are fundamental to the understanding of spin spectra of magnetic systems. Here we investigate the broken-symmetry (BS) approaches of Noodleman and…
Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations
Jia Chen, Cong Hu, John F. Stanton +3
Quantum states are described by wave functions whose phases cannot be directly measured, but which play a vital role in quantum effects such as interference and entanglement. The l…
Quantum-State-Specific Reaction Rate Measurements for the Photo-induced Reaction Ca + O CaO + O
Philipp C. Schmid, Mikhail I. Miller, James Greenberg +3
Atoms and molecules often react at different rates depending on their internal quantum states. Thus, controlling which internal states are populated can be used to manipulate the r…
Vibrational Satellites of CS, CS, and CS: Microwave Spectral Taxonomy as a Stepping Stone to the Millimeter-Wave Band
Brett A. McGuire, Marie-Aline Martin-Drumel, Kin Long Kelvin Lee +3
We present a microwave spectral taxonomy study of several hydrocarbon/CS discharge mixtures in which more than 60 distinct chemical species, their more abundant isotopic specie…
Inner-shell photoionization and core-hole decay of Xe and XeF
Stephen H. Southworth, Ralf Wehlitz, Antonio Picón +3
Photoionization cross sections and partial ion yields of Xe and XeF from Xe 3d, Xe 3d, and F 1s subshells in the 660--740 eV range are compared to explore effec…