Beyond the Potential Energy Surface: Ab initio Corrections to the Born−Oppenheimer Approximation for H2O
Author:
Affiliation:
1. NASA Ames Research Center, Moffett Field, California 94035-1000
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0032513
Reference19 articles.
1. The breakdown of the Born-Oppenheimer approximation: the effective vibration-rotation hamiltonian for a diatomic molecule
2. Chemical physics without the Born-Oppenheimer approximation: The molecular coupled-cluster method
3. The X 1Σ+g state vibration‐rotational energies of the H2, HD, and D2 molecules
4. The adiabatic correction for nonlinear triatomic molecules: Techniques and calculations
Cited by 130 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. A nearly complete treatment of the effect of non-adiabaticity on rovibrational energies of H3+ (Part III);The Journal of Chemical Physics;2024-08-02
2. Physical versus non‐physical effective nuclear masses for non‐adiabatic corrections to molecular spectra;International Journal of Quantum Chemistry;2023-10-26
3. High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models;Molecular Physics;2022-07-27
4. Vibronic mass computation for the EF–GK–H 1Σg+ manifold of molecular hydrogen;Molecular Physics;2022-05-13
5. Sub-percent accuracy for the intensity of a near-infrared water line at 10,670 cm−1: experiment and analysis;Molecular Physics;2022-04-13
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3