4 pages matching initio calculations in this book
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atomic orbital atomic units attractive distortion parameter azimuthal angles charge bohr coefficient for quadrupole-induced collision partners component of dipole COMPONENTS OF OVERLAP configuration interaction contribution from ref contribution to derivative contribution to dipole derivative for Hg-Hg derivative of dipole dihedral angle eigenfunction of electron electric dipole equations 44 Equilibrium internuclear distance expansion coefficient five configurations H0-H collision hartree Hg molecule Hg-H homonuclear diatomic molecule induced contribution initio calculations integrals of type integrated absorption coefficient intermolecular distances Kranendonk law of cosines Linear configuration m3ac molecule a-b molecule subscripts indicate Morse potential nonplanar configuration orbital exponent orbitals a(l Overlap and quadrupole-induced overlap contribution OVERLAP DIPOLE Phys Planar perpendicular configuration polar angles polarizability ponent of dipole Pressure-Induced Absorption pressure-induced vibrational absorption Prolate spheroidal coordinates proton quadrupole quadrupole-induced contribution quantization equal repelling H atoms repulsive distortion parameter spherical harmonics three configurations tion vibrational transition Xg component