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Ferroelectrics Volume 132, 1992 - Issue 1
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Original Articles

An ab-initio study of the potential energy surface for the O-H—O bond in KH2PO4

Y. G. Hao Department of Physics and Department of Chemistry, West Virginia University, Morgantown, WV, 26506, USA
,
X. Y. Sun Department of Physics and Department of Chemistry, West Virginia University, Morgantown, WV, 26506, USA
&
N. S. Dalal Department of Physics and Department of Chemistry, West Virginia University, Morgantown, WV, 26506, USA
Pages 165-172 | Received 01 Feb 1992, Published online: 10 Feb 2011

Citations (6)

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Read on this site (2)

Y.G. Hao, X.Y. Sun, A.N. Klymachyov & N.S. Dalal. (1994) An ab-initio study of the mechanism of dipole moment formation in KH2PO4 . Ferroelectrics 153:1, pages 103-108.
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B. Silvi, Z. Latajka & H. Ratajczak. (1993) Pseudopotential periodic hartree-fock investigation of potassium dihydrogen phosphate. Ferroelectrics 150:1, pages 303-311.
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Articles from other publishers (4)

Xingxing Jiang, Lei Kang, Siyang Luo, Pifu Gong, Ming-Hsien Lee & Zheshuai Lin. (2014) Development of nonlinear optical materials promoted by density functional theory simulations. International Journal of Modern Physics B 28:27, pages 1430018.
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V. A. Abalmassov, A. M. Pugachev & N. V. Surovtsev. (2013) Dynamics of the order parameter and the potential of the hydrogen bond in a ferroelectric DKDP crystal. Journal of Experimental and Theoretical Physics 116:2, pages 280-285.
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Chuangtian Chen, Takatamo Sasaki, Rukang Li, Yincheng Wu, Zheshuai Lin, Yusuke Mori, Zhangui Hu, Jiyang Wang, Satoshi Uda, Masashi Yoshimura & Yushi Kaneda. 2012. Nonlinear Optical Borate Crystals. Nonlinear Optical Borate Crystals 15 115 .
Zheshuai Lin, Zhizhong Wang, Chungtian Chen & Ming-Hsien Lee. (2003) Mechanism of linear and nonlinear optical effects of KDP and urea crystals. The Journal of Chemical Physics 118:5, pages 2349-2356.
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