29 citations · 36 across the 7 of their papers we have counts for
7 papers
Sample-based quantum diagonalization as parallel fragment solver for the localized active space self-consistent field method
Qiaohong Wang, Mario Motta, Ruhee D'Cunha +7
Accurately and efficiently describing strongly correlated electronic systems is a central challenge in quantum computational chemistry, with classical and quantum computers. The lo…
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: from Model Systems to Realistic Applications
Shreya Verma, Abhishek Mitra, Qiaohong Wang +8
One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their…
Non-unitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation
Qiaohong Wang, Ruhee D'Cunha, Abhishek Mitra +4
Accurately describing strongly correlated systems with affordable quantum resources remains a central challenge for quantum chemistry applications on near and intermediate-term qua…
The Localized Active Space Method with Unitary Selective Coupled Cluster
Abhishek Mitra, Ruhee D'Cunha, Qiaohong Wang +5
We introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized…
State preparation in quantum algorithms for fragment-based quantum chemistry
Ruhee D'Cunha, Matthew Otten, Matthew R. Hermes +2
State preparation for quantum algorithms is crucial for achieving high accuracy in quantum chemistry and competing with classical algorithms. The localized active space unitary cou…
Challenges in the use of quantum computing hardware-efficient Ansatze in electronic structure theory
Ruhee D'Cunha, T. Daniel Crawford, Mario Motta +1
Advances in quantum computation for electronic structure, and particularly heuristic quantum algorithms, create an ongoing need to characterize the performance and limitations of t…
Applications of a perturbation-aware local correlation method to coupled cluster linear response properties
Ruhee D'Cunha, T. Daniel Crawford
We have investigated the efficacy of two recently proposed variations of the pair-natural-orbital approach to reducing the scaling of coupled cluster property calculations. In part…