US-France Cooperative Research: Towards a Universal Water Force Field from VRT Spectra

美法合作研究：从 VRT Spectra 走向通用水力场

• 批准号: 0003807
• 负责人: Richard Saykally
• 金额: $ 2.1万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-02-01 至 2005-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0003807&HistoricalAwards=false
• 关键词: US; France; Cooperative; Research; Towards

0003807SaykallyThis three-year award for U.S.-France cooperative research in chemistry involves Richard J. Saykally of the University of California at Berkeley and Claude LeForestier at the Universite de Montpellier II in Montpellier, France. The objective of their collaboration is to construct and deliver an accurate and generally applicable force field for describing liquid and solid water. Experimental studies of water clusters by laser vibration rotation tunneling (VRT) infrared (IR) cavity will be conducted by the Berkeley group. The Montpellier group will focus on theoretical descriptions of water dimer and trimer spectra. The US group brings to this collaboration experimental capabilities in terahertz VRT and IR spectroscopy. This is complemented by French theoretical expertise in Wigner pseudospectral method and vibrational predissociation. This award represents the US side of a joint proposal to NSF and the French National Center for Scientific Research (CNRS). NSF will cover travel funds and living expenses for the US investigator and graduate students. The CNRS will support the visits of French researchers to the United States. The collaboration addresses an important scientific question - the accurate determination of water's intermolecular potential. The project will advance fundamental understanding of the water force field.

0003807 SaykallyThis三年奖美国-法国化学合作研究涉及加州大学伯克利分校的理查德·J·赛卡利和法国蒙彼利埃第二大学的克劳德·勒福雷斯蒂埃。 他们合作的目的是构建和提供一个准确和普遍适用的力场来描述液体和固体水。伯克利小组将利用激光振动旋转隧道红外腔对水团簇进行实验研究。 蒙彼利埃小组将着重于水的二聚体和三聚体光谱的理论描述。美国小组为这次合作带来了太赫兹VRT和红外光谱学的实验能力。 这是补充法国的理论专长维格纳pseudospectral方法和振动预离解。该奖项代表了美国方面向NSF和法国国家科学研究中心（CNRS）提出的联合建议。 NSF将支付美国研究员和研究生的旅费和生活费。CNRS将支持法国研究人员访问美国。该合作解决了一个重要的科学问题-精确测定水的分子间势能。 该项目将促进对水力场的基本理解。