Browsing by Subject "Energy-band theory of solids."
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(Brock University, 1978-07-09)The Augmented Pl ane Wave Method has been used to calculate the one-electron energy band structure of CdO. Energy eigenva l ues were calculated along three symmetry lines and for some other general wave-vectors of interest.
Reduced local energy calculations on XÂ¹Sigmaâ ½gHâ and 1Â¹S He /|nGerald F. Thomas. -- 260 St. Catharines [Ont.] : Dept. of Chemistry, Brock University, (Brock University, 1975-07-09)The one-electron reduced local energy function, t ~ , is introduced and has the property < tL)=(~>. It is suggested that the accuracy of SL reflects the local accuracy of an approximate wavefunction. We establish that ...