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

Filatov, Michael, Shaik, Sason (1999) A spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations. Chemical Physics Letters, 304. 429-437 doi:10.1016/s0009-2614(99)00336-x

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleA spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations
JournalChemical Physics Letters
AuthorsFilatov, MichaelAuthor
Shaik, SasonAuthor
Year1999 (May)Volume304
PublisherElsevier BV
DOIdoi:10.1016/s0009-2614(99)00336-xSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID5898640Long-form Identifiermindat:1:5:5898640:4
GUID0
Full ReferenceFilatov, Michael, Shaik, Sason (1999) A spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations. Chemical Physics Letters, 304. 429-437 doi:10.1016/s0009-2614(99)00336-x
Plain TextFilatov, Michael, Shaik, Sason (1999) A spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations. Chemical Physics Letters, 304. 429-437 doi:10.1016/s0009-2614(99)00336-x
In(n.d.) Chemical Physics Letters Vol. 304. Elsevier BV

See Also

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

Filatov, Michael, Shaik, Sason (2000) Artificial symmetry breaking in radicals is avoided by the use of the Ensemble-Referenced Kohn–Sham (REKS) method. Chemical Physics Letters, 332. 409-419 doi:10.1016/s0009-2614(00)01257-4
Filatov, Michael, Shaik, Sason (2000) Diradicaloids:  Description by the Spin-Restricted, Ensemble-Referenced Kohn−Sham Density Functional Method. The Journal of Physical Chemistry A, 104 (28). 6628-6636 doi:10.1021/jp0002289
Filatov, Michael, Shaik, Sason (1999) Application of spin-restricted open-shell Kohn–Sham method to atomic and molecular multiplet states. The Journal of Chemical Physics, 110 (1). 116-125 doi:10.1063/1.477941
Filatov, Michael, Shaik, Sason (1998) Spin-restricted density functional approach to the open-shell problem. Chemical Physics Letters, 288. 689-697 doi:10.1016/s0009-2614(98)00364-9
Kazaryan, Andranik, Heuver, Jeroen, Filatov, Michael (2008) Excitation Energies from Spin-Restricted Ensemble-Referenced Kohn−Sham Method: A State-Average Approach†. The Journal of Physical Chemistry A, 112 (50). 12980-12988 doi:10.1021/jp8033837
Nakajima, Takahito, Suzumura, Toshihisa, Hirao, Kimihiko (1999) A new relativistic scheme in Dirac–Kohn–Sham theory. Chemical Physics Letters, 304. 271-277 doi:10.1016/s0009-2614(99)00304-8
Wu, Wei, Shaik, Sason (1999) VB-DFT: a nonempirical hybrid method combining valence bond theory and density functional energies. Chemical Physics Letters, 301. 37-42 doi:10.1016/s0009-2614(99)00011-1
Wu, Wei, Zhong, Shi-jun, Shaik, Sason (1998) VBDFT(s): a Hückel-type semi-empirical valence bond method scaled to density functional energies. Application to linear polyenes. Chemical Physics Letters, 292. 7-14 doi:10.1016/s0009-2614(98)00684-8
(1999) Erratum. Chemical Physics Letters, 304. 126pp. doi:10.1016/s0009-2614(99)00296-1
Nakai, Hiromi (2002) Energy density analysis with Kohn–Sham orbitals. Chemical Physics Letters, 363. 73-79 doi:10.1016/s0009-2614(02)01151-x
(1999) Index. Chemical Physics Letters, 304. 450-457 doi:10.1016/s0009-2614(99)00424-8
 
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: 2026.6.7 19:02:17
Go to top of page