Found an issue? Give us feedback

Link to

shareShare

Cite

Claim

Select content type to embed

All Research products

arrow_drop_down

<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>

COPY SCRIPT

For further information contact us at helpdesk@openaire.eu

CO_2势能面和振动激发态的理论研究 ; Theoretical Study for Potential Energy Surface and Vibrational Excited States of CO_2

Name: CO_2势能面和振动激发态的理论研究 ; Theoretical Study for Potential Energy Surface and Vibrational Excited States of CO_2
Keywords: 势能面, 振动激发态, Vibrational excited state, CO_2分子, Potential energy surface, CO\-2

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1999 China (People's Republic of) chi

CO_2势能面和振动激发态的理论研究 ; Theoretical Study for Potential Energy Surface and Vibrational Excited States of CO_2

- Summary
- Subjects
- Metrics

Abstract

采用振动自洽场 -组态相互作用 (SCf-CI)方法通过实验振动光谱优化了 CO2 分子的势能函数 ,由该势能函数计算得到的纯振动光谱数据与实验值相比 ,所有能级的误差均在 4 CM- 1 以内 ,均方根偏差为 1 .50 CM- 1 ,所预测的 Π态振转光谱也与实验值很接近 . ; The potential energy surface for the electronic ground state of the CO\-2 molecule was optimized by using the self\|consistent field\|configuration interaction method and involving the 49 observed vibrational energy levels below 20 000 cm\+\{-1\}.The root\|mean\|square error of this fitting is 1.50 cm\+\{-1\}.The rovibrational energy levels for the \$Σ\$ and \$Π\$ vibrational states are calculated to test the refined potential. ; 国家自然科学基金!(批准号:29706115);国家教育部博士点基金!(批准号:97061002)资助

Country

China (People's Republic of)

Related Organizations

Xiamen University
China (People's Republic of)
Xiamen University
China (People's Republic of)

Keywords

势能面, 振动激发态, Vibrational excited state, CO_2分子, Potential energy surface, CO\-2

Impact byBIP!

	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average

Found an issue? Give us feedback

Average

Upload OA version

Are you the author? Do you have the OA version of this publication?

uploadUpload now!