Symmetry analysis and electronic states in cubic ice
- 28 October 1971
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 4 (15) , L314-L316
- https://doi.org/10.1088/0022-3719/4/15/005
Abstract
A modification of the standard tight binding approach with an expansion set constituted by molecular orbitals is proposed to study the electronic states in ice. The expected sequence of crystal states in cubic ice is discussed on the basis of symmetry and is related to the high frequency optical constants.Keywords
This publication has 7 references indexed in Scilit:
- SCF MO's and Molecular Properties of H2OThe Journal of Chemical Physics, 1970
- Approximate Hartree–Fock Wavefunctions, One-Electron Properties, and Electronic Structure of the Water MoleculeThe Journal of Chemical Physics, 1968
- Vacuum UV Absorption Spectra of Liquid Water and IceJournal of the Physics Society Japan, 1968
- The electronic properties of tetrahedral intermetallic compounds I. Charge distributionProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1962
- Determination of hydrogen position in cubic ice by electron diffractionActa Crystallographica, 1957
- Simplified LCAO Method for the Periodic Potential ProblemPhysical Review B, 1954
- The Structure and Entropy of Ice and of Other Crystals with Some Randomness of Atomic ArrangementJournal of the American Chemical Society, 1935