The self-consistent field (SCF) procedure is the standard technique for solving the Hartree-Fock and Kohn-Sham density functional theory calculations, while convergence is not theoretically guaranteed. Direct minimization methods, such as the augmented Lagrangian method (ALM) and second-order SCF (SOSCF), obtain the SCF solution by minimizing the Lagrangian with the gradient. In SOSCF, molecular orbitals are optimized by truncating the Taylor expansion of a unitary matrix represented in exponential form to ensure the orthonormality condition.
View Article and Find Full Text PDFJ Sports Med Phys Fitness
November 2024
Background: In baseball pitches, the forkball requires a special grip, pinching the ball between the second and third fingers to achieve the resulting breaking ball trajectory. We hypothesized that the forkball grip would have a substantial impact on the hardness of the flexor digitorum superficialis. The aim was to quantify and clarify the change in the hardness of the flexor digitorum superficialis due to the forkball grip.
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