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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 101, 2003 - Issue 1-2
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Original Articles

Transferability of core potentials to f and d states of lanthanide and actinide ions

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Pages 73-80 | Received 05 Nov 2001, Accepted 14 Jan 2002, Published online: 25 Nov 2009

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Goar Sánchez-Sanz, Luis Seijo & Zoila Barandiarán. (2010) Energy Shift of the 4f 136s 1 Excited States of Yb2+ from Gas Phase to the CsCaBr3 Solid. Spectroscopy Letters 43:5, pages 393-399.
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Articles from other publishers (73)

Yue Chen, Ray Miyazaki, Shigeyoshi Sakaki & Jun-ya Hasegawa. (2023) A Multiconfigurational Wave Function Theoretical Study on Electronic Structure and Magnetic Susceptibility of Dilanthanide Single Molecule Magnet. The Journal of Physical Chemistry A 128:1, pages 81-88.
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Jun Wen, Jing Gao, Guisheng Jiang, Xiaoxiao Huang, Qiang Wang, Chenlong Wei, Lixin Ning & Chang-Kui Duan. (2023) Theoretical studies on thermodynamic stabilities and luminescent mechanisms of defects and lanthanide ions in BaZrSi3O9. Journal of Luminescence 255, pages 119579.
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Zoila Barandiarán, Jonas Joos & Luis SeijoZoila Barandiarán, Jonas Joos & Luis Seijo. 2022. Luminescent Materials. Luminescent Materials 137 193 .
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Xiaoxiao Huang, Zheng Qiao, Zhongxian Qiu, Naiyu Ma, Jun Wen & Lixin Ning. (2020) Site Occupation and Spectral Assignment in Eu 2+ -Activated β-Ca 3 (PO 4 ) 2 -Type Phosphors: Insights from First-Principles Calculations . Inorganic Chemistry 59:22, pages 16760-16768.
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Jun Wen, Yan Wang, Guisheng Jiang, Jiyou Zhong, Jimin Chu, Qiangsheng Xia, Qingping Zhang, Lixin Ning, Chang-Kui Duan & Min Yin. (2020) First-Principles Study on Self-Activated Luminescence and 4f → 5d Transitions of Ce 3+ in M 5 (PO 4 ) 3 X (M = Sr, Ba; X = Cl, Br) . Inorganic Chemistry 59:7, pages 5170-5181.
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Jun Wen, Guisheng Jiang, Jiyou Zhong, Qingping Zhang, Enjie He, Lixin Ning & Chang-Kui Duan. (2019) Site occupation and 4f → 5d transitions of Ce3+ ions at mixed Ca2+/Y3+ sites in CaYAlO4: Insights from first-principles calculations. Journal of Luminescence 216, pages 116726.
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Rui Shi, Xiaoxiao Huang, Tiantian Liu, Litian Lin, Chunmeng Liu, Yan Huang, Lirong Zheng, Lixin Ning & Hongbin Liang. (2018) Optical Properties of Ce-Doped Li 4 SrCa(SiO 4 ) 2 : A Combined Experimental and Theoretical Study . Inorganic Chemistry 57:3, pages 1116-1124.
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Yu. Gerasymchuk, M. Guzik, R. Lisiecki, M. Sobczyk, J. Jański, A. Koll, G. Boulon & J. Legendziewicz. (2018) Photophysical properties and ab initio HF and DFT calculations of the structure and spectroscopy of axially chloro substituted Yb(III) mono-phthalocyanines in different systems. Journal of Luminescence 193, pages 84-89.
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Jun Wen, Yau-Yuen Yeung, Lixin Ning, Chang-Kui Duan, Yucheng Huang, Jie Zhang & Min Yin. (2017) Thermal stabilities, electronic structures and optical properties of intrinsic defects and dopant cerium in Ca4F2Si2O7. Journal of Alloys and Compounds 713, pages 28-37.
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Jun Cheng, Jiajia Cai, Jun Wen, Yonghu Chen, Min Yin & Changkui Duan. (2016) Ab-initio study on the structural and spectral properties of Ce 3+ in strontium silicates phosphors. Journal of Luminescence 177, pages 337-341.
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Rafał Janicki, Andrzej Kędziorski & Anna Mondry. (2016) The first example of ab initio calculations of f–f transitions for the case of [Eu(DOTP)] 5− complex—experiment versus theory . Physical Chemistry Chemical Physics 18:40, pages 27808-27817.
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Fumihiko Aiga, Ryosuke Hiramatsu & Kunio Ishida. (2016) Ab initio theoretical study of 4f→5d transitions in Eu2+-doped CaF2: (2) Augmented-basis-set-study. Journal of Luminescence 169, pages 601-605.
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Rui Shi, Minmin Qi, Lixin Ning, Fengjuan Pan, Lei Zhou, Weijie Zhou, Yucheng Huang & Hongbin Liang. (2015) Combined Experimental and ab Initio Study of Site Preference of Ce 3+ in SrAl 2 O 4 . The Journal of Physical Chemistry C 119:33, pages 19326-19332.
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Yu. Gerasymchuk, L. Tomachynski, M. Guzik, A. Koll, J. Jański, Y. Guyot, W. Stręk, G. Boulon & J. Legendziewicz. (2015) Photophysical and theoretical studies of structure and spectroscopic behaviour of axially substituted Yb(III) mono-phthalocyanines in different media. Journal of Photochemistry and Photobiology A: Chemistry 309, pages 65-71.
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Jun Wen, Lixin Ning, Chang-Kui Duan, Shengbao Zhan, Yucheng Huang, Jie Zhang & Min Yin. (2015) First-Principles Study on Structural, Electronic, and Spectroscopic Properties of γ-Ca 2 SiO 4 :Ce 3+ Phosphors . The Journal of Physical Chemistry A 119:29, pages 8031-8039.
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