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CALCULATING EXCITED STATE PROPERTIES OF A MOLECULAR SYSTEM USING A HYBRID CLASSICAL-QUANTUM COMPUTING SYSTEM

机译:使用混合经典量子计算系统计算分子系统的激发状态特性

摘要

A method for calculating excited state properties of a molecular system using a hybrid classical-quantum computing system includes determining, using a quantum processor and memory, a ground state wavefunction of a combination of quantum logic gates. In an embodiment, the method includes forming a set of excitation operators. In an embodiment, the method includes forming a set of commutators from the set of excitation operators and a Hamiltonian operator. In an embodiment, the method includes mapping the set of commutators onto a set of qubit states, the set of qubit states corresponding to a set of qubits of the quantum processor. In an embodiment, the method includes evaluating, using the quantum processor and memory, the set of commutators. In an embodiment, the method includes causing a quantum readout circuit to measure an excited state energy from the set of computed commutators.
机译:使用混合经典量子计算系统计算分子系统的激发状态特性的方法包括使用量子处理器和存储器来确定量子逻辑门的组合的接地状态波段。在一个实施例中,该方法包括形成一组励磁操作器。在一个实施例中,该方法包括从该组励磁操作器和哈密顿运算符形成一组换向器。在一个实施例中,该方法包括将该组换向器映射到一组Qubit状态,该组Qubit状态对应于量子处理器的一组Qubits。在一个实施例中,该方法包括使用量子处理器和存储器来评估该组换向器。在一个实施例中,该方法包括使量子读出电路从该组计算的换向器测量激发状态能量。

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