Hartree Computation of the Internal Diamagnetic Field for Atoms

Erratum: Hindered Internal Rotation and ESR Spectroscopy

“…cially the phase change observed in the interference pattern when the index of refraction of the supporting window is changed from a value greater than n to a value less than n. 6 We found n= 1.57±0.05 at 1.5 p" which is exactly the same as that used by Hollenberg and Dows. 8 The results of our measurements are presented in Table I.…”

“…The total result of eT d= 305 X 10-5 obtained in this manner may be compared with the value of 308X 10-5 derived from interpolation of values computed with Hartree functions. 6 …”

“…. 6 Our application of this technique will be described in more detail in a later publication, but the principles are given in O. S. I N this note we derive two sum rules relating coherent x-ray scattering data to the expectation values of certain quantities. These relationships suggest experimental techniques for the determination of the expectation values in question which have usually only been available from theoretical calculations.…”

Nuclear magnetic shielding constants calculated from numerical hartree-fock wave functions

“…Since the classical calculation of u by Hylleraas and Skavlem [3] on He and on a large number of atoms by Dickinson [4] using Hartree and Hartree-Fock functions, many workers have calculated u using more accurate wave functions for atomic systems. For a complete bibliography on previous calculations of u, we refer the reader to a paper by Malli and Fraga [2] where values of u calculated using the analytical Hartree-Fock wave functions of Clementi [5] and Malli [6], have been reported for all the atomic systems up to krypton (2 = 36).…”

Ядерный Магнитный Резонанс

“…35 рассчитал σ для всех атомов и иротабулировал результаты. Когда речь идет о молекулах, электронное распределение уже не обла-дает сферической симметрией нейтрального атома; диамагнитный момент, индуцированный приложенным полем, обычно меньше, чем у атома, и очень критично зависит от электронной конфигурации; химические связи служат препятствием течению индуцированных электронных токов и соответствую-щим образом изменяют диамагнитный момент.…”