Advances in Quantum Chemistry, Volume 5 |
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Contents
R DAUDEL | 2 |
Brief Summary concerning the Calculation of Rate Constants | 8 |
General Conclusions | 24 |
Copyright | |
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Common terms and phrases
adiabatic antibinding application approach approximation atomic atomic orbitals binding bond calculations changes charge Chem compared components configurations consider constant contraction contribution correction correlation corresponding coupling curves defined density depend described diagonal discussed distance effect electronic equation example excited expansion exponential model expression fact factor formula given gives ground Hamiltonian increase indices integral interaction interference internuclear introduced irreducible kets kinetic energy Kołos limit linear Löwdin lower matric basis matrix method molecular molecule motion nonadiabatic nuclear obtained occurs orbitals overlap parameter partitioning permutational perturbation Phys physical positive possible potential energy present problem promotion properties quantum quantum mechanical reaction referred region relation representation represents respect separated sequence adapted shows solution space step symmetry Table taking theoretical theory tion variation vibrational wave function yields Δε