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Ab initio model-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies of Cr2+ in oxide and fluoride octahedral coordination

机译：从头算模型潜在嵌入聚类研究Jahn-Teller参数和氧化物和氟化物八面体配位中Cr2 +的电子跃迁能

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作者
Pascual, José Luis; Seijo, Luis; Barandiarán, Zoila;
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年度 1996
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正文语种 eng
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1. AB INITIO MODEL-POTENTIAL EMBEDDED-CLUSTER STUDY OF JAHN-TELLER PARAMETERS AND ELECTRONIC TRANSITION ENERGIES OF CR2+ IN OXIDE AND FLUORIDE OCTAHEDRAL COORDINATION [J] . Pascual JL., Barandiaran Z., Seijo L. Physical Review, B. Condensed Matter . 1996,第3期

机译：氧化物和氟化物八面体配位中JAN-泰勒参数和CR2 +的电子跃迁能的从头算模型势能嵌入簇研究
2. Multiple-excited-state absorption of V2+ in low-field crystals: An ab initio model-potential embedded-cluster study [J] . Lopez-Moraza S., Barandiaran Z., Seijo L. Physical Review, B. Condensed Matter . 1998,第19期

机译：低场晶体中V2 +的多激发态吸收：从头算模型潜在的嵌入式集群研究
3. d → d Spectrum and High-Spin/Low-Spin Competition in d~6 Octahedral Coordination Compounds: ab Initio Study of Potential Energy Curves [J] . Helene Bolvin The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1998,第38期

机译：d→d光谱与d〜6八面体配位化合物的高自旋/低自旋竞争：从头算势能曲线研究
4. Ab initio Study of Structural Phase Transition and Electronic Properties in Samarium (Sm) Compounds [C] . Yeshvir Singh Panwar, Mahendra Aynyas, Jagdeesh Pataiya National Conference on Recent Trends in Science of Materials . 2016

机译：AB Initio对钐（SM）化合物中结构相转变和电子性质的研究
5. The crystal and electronic structures of oxides containing d0 transition metals in octahedral coordination [D] . Eng, Hank W. 2003

机译：八面体配位的含d0过渡金属的氧化物的晶体和电子结构
6. Ab initio study of the neutral and anionic alkali and alkaline earth hydroxides: Electronic structure and prospects for sympathetic cooling of OH− [O] . Milaim Kas, Jérôme Loreau, Jacques Liévin, -1

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7. Multiple-excited-state absorption of V2+ in low-field crystals: an ab initio model-potential embedded-cluster study [O] . López Moraza, Sara, Seijo, Luis, Barandiarán, Zoila 1998

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Ab initio model-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies of Cr2+ in oxide and fluoride octahedral coordination

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