Anharmonic interference effects in potassium

Anharmonic interference effects in potassium

The contributions to the dynamic form factor S(Q, U) arising from interference between its one-phonon and multiphonon parts have been observed in the scattering of neutrons from potassium. Interference makes two qualitatively distinct contributions to S(Q, U). One is approximately proportional to the one-phonon part, S,(Q, U), and as a result contributes scattering intensity largely within the ...

Anharmonic lattice dynamics of solid potassium

An intcrionic potential proposed by Dagcns, Rasolt, and Taylor has been used in classical computcrsimulation experiments on solid K at 162.5 and 311 K. Results for the dynamical structure factor S{gre) are compared with lattice-dynamical calculations employing the self-consistent harmonic approximation plus cubic anharmonic corrections. The lattice&ynamical calculations are in good accord with ...

Including anharmonic and Duschinsky effects

CASSCF/MRCI/aug-cc-pVQZ~no g! and RCCSD~T!/aug-cc-pVQZ potential energy functions were reported for the à B1 and X̃ A1 states of CF2 , respectively. Vibrational wave functions of the symmetric stretching and bending modes of the two states of CF2 were obtained in variational calculations, employing Watson’s Hamiltonian for a nonlinear molecule and anharmonic vibrational wave functions expressed ...

Anharmonic effects on charge and orbital order.

Nitrate interference with potassium-selective microelectrodes

tions of K+, and triple-barrelled microelectrodes measuring K pH and membrane potential m have provided Initial attempts to measure K+ activity (a K ) in vacuoles a major advance towards this goal ( Walker et al., 1995, of barley leaf epidermal cells using triple-barrelled K+1996). The incorporation of a pH-sensing barrel allows selective microelectrodes gave values that were only unequivocal a...