Accession Number : AD0420620

Title :   (NO TITLE).

Descriptive Note : Quarterly progress rept. no. 50.

Corporate Author : MASSACHUSETTS INST OF TECH CAMBRIDGE

Report Date : 15 OCT 1963

Pagination or Media Count : 87

Abstract : Contents: Non-Empirical LCAO-SCF Calculation on Formyl Fluoride with Gaussian Atomic Orbitals; Non-Empirical Calculations on the Ethylene Molecule; SCF Calculations on H2O, Using Gaussian Functions; Molecular Integrals Over Slater Orbitals; The b and c Coefficients That Are Used in Some Expressions for Multicenter Molecular Integrals; Four Center Integrals--Gaussian and Slater Functions; Configuration Interaction; The Ewald Method for the Self-Consistent APW Problem; Calculation of the Fourier Series by Three Dimensional Numerical Integration and its Application to the APW Problem; Energy Bands in Silver Chloride.

Descriptors :   (*QUANTUM THEORY, MATHEMATICAL ANALYSIS), (*MOLECULAR STRUCTURE, MATHEMATICAL ANALYSIS), (*ORGANIC COMPOUNDS, QUANTUM THEORY), (*ATOMIC ORBITALS, MATHEMATICAL ANALYSIS), (*SOLID STATE PHYSICS, MATHEMATICAL ANALYSIS), FLUORIDES, CHLORIDES, SILVER COMPOUNDS, INTEGRAL EQUATIONS, MATHEMATICAL ANALYSIS, CRYSTAL LATTICES, ENERGY, EXCITATION, ATOMIC STRUCTURE, ELECTRON TRANSITIONS, WATER, ALKENES

Distribution Statement : APPROVED FOR PUBLIC RELEASE