3 papers
quant-ph2025
Fragment, Entangle, and Consolidate: Strong Correlation through Bi-fold Quantum Circuits
Arpan Choudhury, Sonaldeep Halder, Rahul Maitra +1
An accurate description of strong correlation is quintessential for the exploration of emerging chemical phenomena. While near-term variational quantum algorithms provide a theoret…
physics.chem-ph2025
Intramolecular Singlet Fission Through a Coherently Coupled Excimer-like Intermediate
Sanjoy Patra, Atandrita Bhattacharyya, Ch. Mudasar Hussain +5
Singlet Fission (SF) into two triplets offers exciting avenues for high-efficiency photovoltaics and optically initializable qubits. While the chemical space of SF chromophores is…
physics.chem-ph2025
Excitonic description of singlet fission beyond dimer model : a matrix product state approach
Supriyo Santra, Amartya Bose, Debashree Ghosh
The importance of singlet fission as a fundamental process with a variety of implications in energy harvesting cannot be overstated. The challenge is in characterizing the energy s…