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sured quantities that allowed theorists to test their methods and approxima- tions. ... GW, 4, 7. Hamiltonian, 4, 5 isotope, 4, 6. LDA, 5 phonon, 6. Si, 6, 7. Slater, 6 ... tisymmetry requirements; this was built in with a Slater determinant ansatz.


 Theory of Defects in Semiconductors - Ohio University Theory of Defects in Semiconductors - Ohio University
general than Slater determinants (i.e. wavefunctions with radial corre~ the same ... Slater,6 and others proposed schemes for calculating the radial wavefunctions a,1.d ... effects of additional correlations on the spectroscopic parameters exam~.


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cific skin test to detect latex sensitivity and to know how well this test compares ... latex allergy were slightly greater than for the in vitro test. (100% vs ... 31/51 (61?%). 29/49 (59%). 12/41 (29%). 14/27 (52%). Slater6 n. 32. 5/32 (16%). 4/32 (34?%) ... perinatal T cell priming as a determinant of responder phenotype in adulthood.


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cific skin test to detect latex sensitivity and to know how well this test compares ... latex allergy were slightly greater than for the in vitro test. (100% vs ... 31/51 (61?%). 29/49 (59%). 12/41 (29%). 14/27 (52%). Slater6 n. 32. 5/32 (16%). 4/32 (34?%) ... perinatal T cell priming as a determinant of responder phenotype in adulthood.


 QMMM 2018 QMMM 2018
international cooperation in research, and to develop and test new models conducive ... because these are the ultimate determinants of adhesion in complex biological ... Powell and Slater (6) conducted their experiments in laminar flow where.


 Biomimetic Iron Complexes involved in Oxygenation and ... - DiVA Biomimetic Iron Complexes involved in Oxygenation and ... - DiVA
Test 104(TINKER): MM Pre-optimization using the TINKER Optimizer .....................?........................... ... Computes the determinant and inverse of a matrix using the factors computed by DGEFA. ... The QM level is SLATER/6-31G.


 Subindx 443..457 - Wiley Subindx 443..457 - Wiley
this condition is fulfilled by the so-called Slater6 determinant. FSD(1, 2, . . . N) = 1 ... For this test B3LYP shows a mean absolute deviation of. 4.11 kcal/mol, see ...


 Circular of the Bureau of Standards no. 519: low ... - GovInfo Circular of the Bureau of Standards no. 519: low ... - GovInfo
Most spin-alternated determinants (MSAD),. 65, 67, 68, 69 ... Slater, 6, 7. Slater determinants, 36 ... Time dependent (TD) methods, 168, 176. Time-dependent ...