42 citations · 100 across the 4 of their papers we have counts for
4 papers
Analytic evaluation of non-adiabatic couplings within the complex absorbing potential equation-of-motion coupled-cluster method
Koushik Chatterjee, Zsuzsanna Koczor-Benda, Xintian Feng +2
We present the theory for the evaluation of non-adiabatic couplings (NACs) involving resonance states within the complex absorbing potential equation-of-motion coupled-cluster (CAP…
An Assessment of Different Electronic Structure Approaches for Modeling Time-Resolved X-ray Absorption Spectroscopy
Shota Tsuru, Marta L. Vidal, Mátyás Pápai +3
We assess the performance of different protocols for simulating excited-state X-ray absorption spectra. We consider three different protocols based on equation-of-motion coupled-cl…
Is solid copper oxalate a spin chain or a mixture of entangled spin pairs?
Pavel Pokhilko, Dmitry S. Bezrukov, Anna I. Krylov
Macroscopic assemblies of interacting spins give rise to a broad spectrum of behaviors determined by the spatial arrangement of the magnetic sites and the electronic interactions b…
Bound and continuum-embedded states of cyanopolyyne anions
Wojciech Skomorowski, Sahil Gulania, Anna I. Krylov
Cyanopolyyne anions were among the first anions discovered in the interstellar medium. The discovery have raised questions about routes of formation of these anions in space. Some…