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Common origin gauge

Ref. 46 at experimental geometry, in the common origin gauge, with GIAO orbitals, and ab initio force field CASl, 924 CSFs CAS2 71947 CSFs. [Pg.387]

To understand the difference between the spurious gauge terms (i), which are removed in the ideal case of optimal variational wavefunctions [65], and terms (ii), which account for the essential origin dependence of the property, let us first discuss die origin dependence of the quadrupole polarizability of magnetic susceptibility (22) within the conventional common-origin representation. [Pg.187]

The tensile test finally stops when the specimen ruptures. The elongation of the specimen at this point is measured relative to the original gauge length. Thus, the elongation after fracture A is defined as j4 = AL/Lq. Frequently, A is characterised by a subscript k, defined as k = For the two common... [Pg.71]

The basic computational method is that of coupled Hartree-Fock perturbation theory (14). At present we prefer the GIAO implementation mentioned above because of its computational efficiency and ease of use, but we have previously used a common gauge-origin method as implemented in the software SYSMO (15) as well as the random-phase approximation, localized orbital (RPA LORG) approach as implemented in the software RPAC (16). [Pg.306]

Shieldings in ppm, calculated from a common gauge origin. ... [Pg.86]

Polysilicon and NiCr are currently used for high volume production of high pressure sensors. Because the origin of the change in resistance as a function of the applied strain is different for the two materials, we will analyze the physical contributions to the gauge factor and then discuss these materials in more detail. The Wheatstone bridge, which is commonly used to detect small changes in resistance, is also discussed. [Pg.128]

The position vector of the electron is measured relative to the common gauge origin. When the gauge origin is altered, different values are obtained. The gauge origin (G), the positions of the atoms (M) and electrons (1) are interrelated by the vector formula... [Pg.289]


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See also in sourсe #XX -- [ Pg.271 , Pg.275 ]




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Gauge origin

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