3 papers
quant-ph2026
Symmetry-based perturbation theory for electronic structure calculations
Hiromichi Nishimura, Nam Nguyen, Tanvi Gujarati +1
We develop a multi-reference perturbation theory for electronic structure calculations based on symmetries of the Hamiltonian. The reference Hamiltonian in the symmetry-based pertu…
quant-ph2025
Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging
Tyler Smith, Tanvi P. Gujarati, Mario Motta +11
The simulation of electronic systems is an anticipated application for quantum-centric computers, i.e. heterogeneous architectures where classical and quantum processing units oper…
quant-ph2023
Subspace methods for electronic structure simulations on quantum computers
Mario Motta, William Kirby, Ieva Liepuoniute +7
Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the…