登录注册
Quick Links : Mindat手册The Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
主页关于 MindatMindat手册Mindat的历史版权Who We Are联系我们于 Mindat.org刊登广告
捐赠给 MindatCorporate Sponsorship赞助板页已赞助的板页在 Mindat刊登 广告的广告商于 Mindat.org刊登广告
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
搜索矿物的性质搜索矿物的化学Mineral Visual ExplorerAdvanced Locality Search随意显示任何一 种矿物Random Locality使用minID搜索邻近产地Search Articles搜索词汇表更多搜索选项
搜索:
矿物名称:
地区产地名称:
关键字:
 
Mindat手册添加新照片Rate Photos产区编辑报告Coordinate Completion Report添加词汇表项目
Mining Companies统计会员列表Mineral MuseumsClubs & Organizations矿物展及活动The Mindat目录表设备设置The Mineral QuizTime Machine
照片搜索Photo GalleriesSearch by ColorPhoto Colour Explorer今天最新的照片昨天最新的照片用户照片相集过去每日精选照片相集Photography

Wu, X., Vargas, M. C., Nayak, S., Lotrich, V., Scoles, G. (2001) Towards extending the applicability of density functional theory to weakly bound systems. The Journal of Chemical Physics, 115 (19). 8748-8757 doi:10.1063/1.1412004

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleTowards extending the applicability of density functional theory to weakly bound systems
JournalThe Journal of Chemical Physics
AuthorsWu, X.Author
Vargas, M. C.Author
Nayak, S.Author
Lotrich, V.Author
Scoles, G.Author
Year2001 (November 15)Volume115
Issue19
PublisherAIP Publishing
DOIdoi:10.1063/1.1412004Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2264686Long-form Identifiermindat:1:5:2264686:2
GUID0
Full ReferenceWu, X., Vargas, M. C., Nayak, S., Lotrich, V., Scoles, G. (2001) Towards extending the applicability of density functional theory to weakly bound systems. The Journal of Chemical Physics, 115 (19). 8748-8757 doi:10.1063/1.1412004
Plain TextWu, X., Vargas, M. C., Nayak, S., Lotrich, V., Scoles, G. (2001) Towards extending the applicability of density functional theory to weakly bound systems. The Journal of Chemical Physics, 115 (19). 8748-8757 doi:10.1063/1.1412004
In(2001, November) The Journal of Chemical Physics Vol. 115 (19) AIP Publishing

See Also

These are possibly similar items as determined by title/reference text matching only.

Lotrich, Victor F., Bartlett, Rodney J., Grabowski, Ireneusz (2005) Intermolecular potential energy surfaces of weakly bound dimers computed from ab initio density functional theory: The right answer for the right reason. Chemical Physics Letters, 405. 43-48 doi:10.1016/j.cplett.2005.01.066
Grabowski, Ireneusz, Lotrich, Victor, Bartlett, Rodney J. (2007) Ab initio density functional theory applied to quasidegenerate problems. The Journal of Chemical Physics, 127 (15). 154111pp. doi:10.1063/1.2790013
Coropceanu, V., Malagoli, M., André, J. M., Brédas, J. L. (2001) Intervalence transition in triarylamine mixed-valence systems: A time-dependent density functional theory study. The Journal of Chemical Physics, 115 (22). 10409pp. doi:10.1063/1.1415747
Bartlett, Rodney J., Lotrich, Victor F., Schweigert, Igor V. (2005) Ab initio density functional theory: The best of both worlds?. The Journal of Chemical Physics, 123 (6). 62205pp. doi:10.1063/1.1904585
Liu, Jie, Herbert, John M. (2015) An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers. The Journal of Chemical Physics, 143 (3). 34106pp. doi:10.1063/1.4926837
Lotrich, V., Bartlett, Rodney J. (2011) External coupled-cluster perturbation theory: Description and application to weakly interaction dimers. Corrections to the random phase approximation. The Journal of Chemical Physics, 134 (18). 184108pp. doi:10.1063/1.3570573
Bertsch, G. F., Schnell, A., Yabana, K. (2001) Electron–vibration coupling in time-dependent density-functional theory: Application to benzene. The Journal of Chemical Physics, 115 (9). 4051-4054 doi:10.1063/1.1390513
Piccinin, S., Selloni, A., Scandolo, S., Car, R., Scoles, G. (2003) Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study. The Journal of Chemical Physics, 119 (13). 6729-6735 doi:10.1063/1.1602057
Zettergren, Henning, Wang, Yang, Lamsabhi, Al Mokhtar, Alcamí, Manuel, Martín, Fernando (2009) Density functional theory study of multiply ionized weakly bound fullerene dimers. The Journal of Chemical Physics, 130 (22). 224302pp. doi:10.1063/1.3151683
Sinnokrot, Mutasem Omar, Sherrill, C. David (2001) Density functional theory predictions of anharmonicity and spectroscopic constants for diatomic molecules. The Journal of Chemical Physics, 115 (6). 2439-2448 doi:10.1063/1.1386412
Miao, M. S., Zhang, M.-L., Van Doren, V. E., Van Alsenoy, C., Martins, José Luís (2001) Density functional calculations on the structure of crystalline polyethylene under high pressures. The Journal of Chemical Physics, 115 (24). 11317-11324 doi:10.1063/1.1420404
 
and/or  
版权所有© mindat.org1993年至2026年，除了规定的地方。 Mindat.org全赖于全球数千个以上成员和支持者们的参与。
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
隐私政策 - 条款和条款细则 - 联络我们 - Report a bug/vulnerability Current server date and time: 2026.6.9 00:51:44
Go to top of page