Engineering topics

Abraham, Vibin

Publications and source records attributed to Abraham, Vibin.

2 records

DOE OSTI2024

Challenges with relativistic GW calculations in solids and molecules

Accurate electronic-structure calculations for molecules and solids with heavy elements require an interplay of electronic correlations and relativistic effects. However, this tedious task poses problems for the existing quantum chemistry machinery.

Harsha, Gaurav↗

DOE OSTI2023

Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer

We present a new hybrid quantum algorithm to estimate molecular excited and charged states on near-term quantum computers following any VQE-based ground state estimation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗