Orbital optimized unitary coupled cluster theory for quantum computer
Wataru Mizukami, Kosuke Mitarai, Yuya O. Nakagawa, Takahiro Yamamoto, Tennin Yan, Yu‐ya Ohnishi
Abstract
This paper presents a wave-function method based on unitary coupled-cluster theory for quantum computers, to determine the quantum circuit parameters and molecular orbital parameters simultaneously, as well as molecular-geometry optimizations
Topics & Concepts
Unitary stateWave functionCoupled clusterQuantumCluster (spacecraft)Quantum mechanicsPhysicsComputer scienceMoleculeLawProgramming languagePolitical scienceQuantum Computing Algorithms and ArchitectureQuantum Information and CryptographyAdvanced Chemical Physics Studies