What is the Exchange Repulsion Energy? Insight by Partitioning into Physically Meaningful Contributions.

It is shown that the exchange repulsion energy, E, can be rationalized by partitioning the respective energy expression for two systems with Hartree-Fock orbitals into physically meaningful contributions. A division of E into a positive kinetic and a negative potential part is possible, but these contributions correlate only poorly with the actual exchange repulsion energy. A more meaningful partitioning is derived, where all kinetic energy contributions are collected in a term that vanishes for exact Hartree-Fock orbitals due to their stationarity conditions.

Experimental and theoretical investigation of the Auger electron spectra of isothiocyanic acid, HNCS.

We investigate isothiocyanic acid, HNCS, by resonant and nonresonant Auger electron spectroscopy at the K-edge of carbon and nitrogen, and the L-edge of sulfur, employing soft X-ray synchrotron radiation. The C1s and N1s ionization energies as well as the S2s and S2p ionization energies are determined and X-ray absorption spectra reveal the transitions from the core to the virtual orbitals. Final states for all normal Auger electron spectra and the resonant ones recorded at the carbon and nitrogen edge are assigned and rationalized with theoretical spectra obtained with a wave-function based protocol.

Nursing Home Palliative Care Referral Process, Barriers, and Proposed Solutions: A Qualitative Study.

Despite evidence that specialized care for seriously ill nursing home (NH) residents is needed, barriers to accessing palliative care (PC) remain. A significant issue is the complexity of the referral process that inhibits timely and equitable access to care. This qualitative descriptive study explored the PC referral process in NHs.