论文标题

用量子资源的Hartree-Fock的局限性

Limitations of Hartree-Fock with quantum resources

论文作者

Gulania, Sahil, Whitfield, James Daniel

论文摘要

Hartree-Fock问题提供了大部分量子化学的概念和数学基础。随着量子技术旨在增强计算化学算法的努力,基本的Hartree-fock问题是自然的目标。虽然量子计算机和量子模拟为现代化学的未来提供了许多前景,但Hartree-Fock问题并不是候选人。我们从许多角度强调了这一事实,包括计算复杂性,实际示例以及简单系统的能源景观的全部表征。

The Hartree-Fock problem provides the conceptual and mathematical underpinning of a large portion of quantum chemistry. As efforts in quantum technology aim to enhance computational chemistry algorithms, the fundamental Hartree-Fock problem is a natural target. While quantum computers and quantum simulation offer many prospects for the future of modern chemistry, the Hartree-Fock problem is not a likely candidate. We highlight this fact from a number of perspectives including computational complexity, practical examples, and the full characterization of the energy landscapes for simple systems.

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