7 citations · 10 across the 3 of their papers we have counts for
3 papers
Fast \textit{ab initio} design of high-entropy magnetic thin films
Dinesh Bista, Willie B. Beeson, Turbasu Sengupta +4
We show that the magnetic properties of high-entropy alloys (HEAs) can be captured by \textit{ab initio} calculations within the coherent potential approximation, where the atomic…
Electron Attachment to DNA and RNA Nucleobases: An EOMCC Investigation
Chintya Kumar Dutta, Turbasu Sengupta, Nayana Vaval +1
We report a benchmark theoretical investigation of both adiabatic and vertical electron affinities of five DNA and RNA nucleobases: adenine, guanine, cytosine, thymine and uracil u…
A Relativistic Equation-of-motion Coupled-Cluster Investigation of the Trends of Single and Double Ionization Potentials in the He and Be Isoelectronic Systems
Himadri Pathak, B. K. Sahoo, Turbasu Sengupta +3
We employ four-component spinor relativistic equation-of-motion coupled-cluster (EOMCC) method within the single- and double- excitation approximation to calculate the single ioniz…