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

机译:用混合经典量子计算系统计算分子系统的激发态性质。

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:一种用于使用混合经典量子计算系统计算分子系统的激发态性质的方法,包括使用量子处理器和存储器确定量子逻辑门组合的基态波函数。在一个实施例中,该方法包括形成一组激励算子。在一个实施例中,该方法包括由该组激励算子和哈密顿算子形成一组换向器。在一个实施例中,该方法包括将换向器的集合映射到一组量子位状态,该组量子位状态对应于量子处理器的一组量子位。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测量来自该组计算的换向器的激发态能量。

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