45 citations · 109 across the 7 of their papers we have counts for
7 papers
ExoMol line lists -- LI. Molecular line list for lithium hydroxide (LiOH)
Alec Owens, Sam O. M. Wright, Yakiv Pavlenko +4
A new molecular line list for lithium hydroxide (LiOH) covering wavelengths m (the 0-10000 cm range) is presented. The OYT7 line list contains ove…
ExoMol line lists -- XLVII. Rovibronic molecular line list of the calcium monohydroxide radical (CaOH)
Alec Owens, Alexander Mitrushchenkov, Sergei N. Yurchenko +1
Any future detection of the calcium monohydroxide radical (CaOH) in stellar and exoplanetary atmospheres will rely on accurate molecular opacity data. Here, we present the first co…
Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)
Alec Owens, Victoria H. J. Clark, Alexander Mitrushchenkov +2
The rovibronic (rotation-vibration-electronic) spectrum of the calcium monohydroxide radical (CaOH) is of interest to studies of exoplanet atmospheres and ultracold molecules. Here…
Orbital breathing effects in the computation of x-ray d-ion spectra in solids by ab initio wave-function-based methods
Nikolay A. Bogdanov, Valentina Bisogni, Roberto Kraus +8
In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or…
Magnetic excitations and electronic interactions in SrCuTeO: a spin-1/2 square lattice Heisenberg antiferromagnet
P. Babkevich, Vamshi M. Katukuri, B. Fåk +9
SrCuTeO presents an opportunity for exploring low-dimensional magnetism on a square lattice of Cu ions. We employ ab initio multi-reference configuration int…
Electron correlation effects in diamond: a wave-function quantum chemistry study of the quasiparticle band structure
Alexandrina Stoyanova, Alexander O. Mitrushchenkov, Liviu Hozoi +2
The quasiparticle bands of diamond, a prototype covalent insulator, are herein studied by means of wave-function electronic-structure theory, with emphasis on the nature of the cor…