58 citations · 442 across the 35 of their papers we have counts for
5 papers · 1 filter
Coordinate Descent Full Configuration Interaction for Excited States
Zhe Wang, Zhiyuan Zhang, Jianfeng Lu +1
An efficient excited state method, named xCDFCI, in the configuration interaction framework, is proposed. xCDFCI extends the unconstrained nonconvex optimization problem in coordin…
Improving the Accuracy of Variational Quantum Eigensolvers With Fewer Qubits Using Orbital Optimization
Joel Bierman, Yingzhou Li, Jianfeng Lu
Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. T…
Quantum Orbital Minimization Method for Excited States Calculation on Quantum Computer
Joel Bierman, Yingzhou Li, Jianfeng Lu
We propose a quantum-classical hybrid variational algorithm, the quantum orbital minimization method (qOMM), for obtaining the ground state and low-lying excited states of a Hermit…
Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget
Yingzhou Li, Jianfeng Lu
Full configuration interaction (FCI) solvers are limited to small basis sets due to their expensive computational costs. An optimal orbital selection for FCI (OptOrbFCI) is propose…
Coordinate descent full configuration interaction
Zhe Wang, Yingzhou Li, Jianfeng Lu
We develop an efficient algorithm, coordinate descent FCI (CDFCI), for the electronic structure ground state calculation in the configuration interaction framework. CDFCI solves an…