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Symbols, Terminology, and Nomenclature
Published in W. M. Haynes, David R. Lide, Thomas J. Bruno, CRC Handbook of Chemistry and Physics, 2016
W. M. Haynes, David R. Lide, Thomas J. Bruno
STM STO STP sub, subl Suc, Sac Sur Sv SWIFT T T t t TAC TAI Tal tan tanh Taps TBE TBP TC TCA TCB, TCBA TCE TCG TCNE TCNQ TCP TCSCF TDA TDI tDNA TE TEA TED TEDA TEELS TEM temp TEO TEPP tert Tes TFD TFE TGA Thd THEED theor thf, THF THQ Thr Thy TI scanning tunneling microscopy Slater-type orbital standard temperature and pressure sublimes; sublimation sucrose thiouracil sievert stored waveform inverse Fourier transform tesla; tera (SI prefix for 1012); threonine kinetic energy; period; term value; temperature (thermodynamic); torque; transmittance metric tonne; triton Celsius temperature; thickness; time; transport number time-to-amplitude converter International Atomic Time talose tangent hyperbolic tangent 3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}-1propanesulfonic acid 1,1,2,2-tetrabromoethane tributyl phosphate titration calorimetry trichloroacetic acid 2,3,6-trichlorobenzoic acid trichloroethylene Geocentric Coordinated Time tetracyanoethylene tetracyanoquinodimethane tricresyl phosphate two configuration self-consistent field toluene-2,4-diamine toluene diisocyanate transfer DNA transverse electric triethanolamine; triethylamine transferred electron device; transmission electron diffraction triethylenediamine transmission electron energy loss spectroscopy transverse electromagnetic; transmission electron microscope temperature thermoplastic elastic olefin tetraethyl pyrophosphate tertiary (in chemical name) 2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}-1propanesulfonic acid Thomas-Fermi-Dirac (method) tetrafluoroethylene thermogravimetric analysis ribosylthymine transmission high energy electron diffraction theoretical tetrahydrofuran 1,2,3,4-tetrahydroquinoline threonine thymine thermal ionization
Quantum-orbit analysis of high-order harmonic generation by bicircular field
Published in Journal of Modern Optics, 2019
In Reference (29), we calculated the time-dependent dipole in the SFA, solving the integral over the intermediate electron momenta using the saddle-point method. The result is presented in the form of an integral over the electron travel time τ of a product of the ionization and recombination matrix elements, the electron wave-packet spreading factor , and a phase factor with the stationary action in the exponent: where , is the stationary momentum, and , with and the ionization potential. In Refs. (17, 29) we modelled the ground state atomic wave function by a linear combination of the Slater-type orbitals , obtained by using the Hartree-Fock-Roothaan method. In this case, the ionization and recombination matrix elements in the SFA are calculated analytically, while the integrals over the travel time in Equation (9) and recombination time t in the T-matrix element are calculated numerically. The recombination matrix element in Ref. (17) was calculated using the low-frequency approximation. This more complicated method is more appropriate for analysis of the influence of the Cooper minimum on the HHG spectrum. Our quantum-orbit theory does not depend on the form of the used matrix element since the relevant action in the exponent remains the same.
Quantum Monte Carlo assessment of density functionals for π-electron molecules: ethylene and bifuran
Published in Molecular Physics, 2019
Egor Ospadov, Stuart M. Rothstein, Roi Baer
In this application, a single Slater determinant was again employed for importance-sampling. Here, the molecular orbitals were expressed in a TZ2P basis set of Slater-type orbitals with an energy-optimised geometry. There are 70 electrons, 16 nuclei and 372 atomic orbitals.