.png){kind=icon}
返回
Hardware efficient quantum algorithms for vibrational structure calculations
.png){kind=icon}
OA
AI
DOI：10.1039/d0sc01908a.png)
.png){kind=icon}
.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians. Our method supports generic reference modal bases and Hamiltonian representations, including the ones that are routinely used in classical vibrational structure calculations. We test different parametrizations of the vibrational wavefunction, which can be encoded in quantum hardware, based either on heuristic circuits or on the bosonic Unitary Coupled ClusterAnsatz. In particular, we define a novel compact heuristic circuit and demonstrate that it provides a good compromise in terms of circuit depth, optimization costs, and accuracy. We evaluate the requirements, number of qubits and circuit depth, for the calculation of vibrational energies on quantum hardware and compare them with state-of-the-art classical vibrational structure algorithms for molecules with up to seven atoms.
Keyword:
SELF-CONSISTENT-FIELD
POTENTIAL-ENERGY SURFACES
MOLECULAR CALCULATIONS
BORN-OPPENHEIMER
WAVE-FUNCTIONS
SCF CI
APPROXIMATION
SYSTEMS
EIGENVALUES
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
7.4
论文数:
1.7W
被引数:
9.3W
机构
引用论文
Laparoscopy: An Alternative to Surgery in Patients Treated with Continuous Ambulatory Peritoneal Dialysis.png)
Nephron
NephronIF0
PREAI
分享收藏A variational eigenvalue solver on a photonic quantum processor光子量子处理器上的变分特征值求解器NATURE COMMUNICATIONSOAAI
NATURE COMMUNICATIONSIF15.7
OAAI分享收藏Multidecadal modulation of El Niño–Southern Oscillation (ENSO) variance by Atlantic Ocean sea surface temperatures大西洋海面温度对厄尔尼诺-南方涛动 (ENSO) 方差的多年调制
OAAI
OAAI分享收藏Witnessing eigenstates for quantum simulation of Hamiltonian spectra哈密顿谱量子模拟的见证本征态SCIENCE ADVANCESOAAI
SCIENCE ADVANCESIF12.5
OAAI分享收藏
查看更多内容