✦ LIBER ✦

MSXα calculation of the electronic structure of Cu+ and Ag+ ions in lithium chloride single crystal

✍ Scribed by Moine, B.; Chermette, H.; Pedrini, C.

Book ID: 115443547
Publisher: American Institute of Physics
Year: 1986
Tongue: English
Weight: 722 KB
Volume: 85
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.451035

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

MSXα calculation of adiabatic potential

MSXα calculation of adiabatic potential energy surfaces of Cu+ in sodium chloride lattice in the a1g subspace. Incidence of the copper–chlorine distance on the electronic structure

✍ Chermette, H. 📂 Article 📅 1982 🏛 American Institute of Physics 🌐 English ⚖ 650 KB

Single crystal neutron diffraction analy

Single crystal neutron diffraction analysis of the cation distribution in the high-temperature phases α-Cu2−xS, α-Cu2−xSe, and α-Ag2Se

✍ M. Oliveria; R.K. McMullan; B.J. Wuensch 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 767 KB

First-principles calculations on the cry

First-principles calculations on the crystal, electronic structures and elastic properties of Ag-rich γ′ phase approximates in Al–Ag alloys

✍ Mingjun Pang; Yongzhong Zhan; Wenchao Yang; Chunliu Li; Haizhou Wang; Wenping Ji 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 617 KB

Studies of the defect structure from the

Studies of the defect structure from the calculations of optical and electron paramagnetic resonance spectra for Ni2+centre inα-LiIO3crystal

✍ Wen-Lin Feng; Wen-Chen Zheng 📂 Article 📅 2008 🏛 Springer-Verlag 🌐 English ⚖ 153 KB

X-ray photoelectron study and first prin

X-ray photoelectron study and first principle calculations of the electronic structure of PbFe1/2Nb1/2O3 single crystal in the ferroelectric and paraelectric phases

✍ Kozakov, A.T.; Polozhentsev, O.E.; Soldatov, A.V.; Googlev, K.A.; Nikolsky, A.V. 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 996 KB

Xα-SW calculations of the electronic str

Xα-SW calculations of the electronic structure and magnetic properties of exchange-coupled transition-metal clusters. Cu(II) dimers as models for CuO2 layers in high-Tc superconductors

✍ Alessandro Bencini; Dante Gatteschi 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 418 KB

The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter