QUARTERLY PROGRESS REPORT NO. 28
The work on Compton scattering and scattering factors for x rays has been continued with the calculation of the atomic scattering factors for some forty atoms and ions using the SCF atomic wave functions. The results are given as a function of sin e/ lambda in A/sup -1/ units. More details are given regarding the electron coupling between nuclear spins in the HD molecule. Combining the use of Gaussinn with exponential functions in the study of polyatomic molecules has been suggested. Steady work is going on in the programming of the 704 computer for atomic and molecular calculation, to take the place of the Whirlwind computer. The work on the augmented plane-wave method is beginning to yield results on the energy bands of iron and potassium. The two- vacancy V-center in KCl is discussed. (For preceding period see NP-6556. (W.D.M.)
- Research Organization:
- Massachusetts Inst. of Tech., Cambridge. Solid-State and Molecular Theory Group
- NSA Number:
- NSA-12-010682
- OSTI ID:
- 4306218
- Report Number(s):
- NP-6709
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ATOMS-- COMPUTERS-- MOLECULES-- NUMERICALS-- PROGRAMMING
CRYSTALS-- DEFECTS-- ENERGY LEVELS-- IRON-- POTASSIUM-- POTASSIUM CHLORIDES-- WAVE MECHANICS
DEUTERIUM COMPOUNDS-- ELECTRONS-- HYDROGEN COMPOUNDS-- INTERACTIONS-- MOLECULES-- NUCLEAR STRUCTURE-- SPIN
PHYSICS