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The first-order energy shift is not well defined, since there is no unique way to choose a basis of eigenstates for the unperturbed system. The various eigenstates for a given energy will perturb with different energies, or may well possess no continuous family of perturbations at all.
Using perturbation theory, the first-order energy shift can be calculated as = >, which requires the knowledge of accurate many-electron wave function. Due to the 1 / M N {\displaystyle 1/M_{N}} term in the expression, the specific mass shift also decrease as 1 / M N 2 {\displaystyle 1/M_{N}^{2}} as mass of nucleus increase, same as normal mass ...
First-order phase transitions exhibit a discontinuity in the first derivative of the free energy with respect to some thermodynamic variable. [6] The various solid/liquid/gas transitions are classified as first-order transitions because they involve a discontinuous change in density, which is the (inverse of the) first derivative of the free ...
Calculations based on the Bohr–Sommerfeld model were able to accurately explain a number of more complex atomic spectral effects. For example, up to first-order perturbations, the Bohr model and quantum mechanics make the same predictions for the spectral line splitting in the Stark effect. At higher-order perturbations, however, the Bohr ...
Fine and hyperfine structure in hydrogen (not to scale). This section presents a relatively simple and quantitative description of the spin–orbit interaction for an electron bound to a hydrogen-like atom, up to first order in perturbation theory, using some semiclassical electrodynamics and non-relativistic quantum mechanics.
Chemical shift δ is usually expressed in parts per million (ppm) by frequency, because it is calculated from [5] =, where ν sample is the absolute resonance frequency of the sample, and ν ref is the absolute resonance frequency of a standard reference compound, measured in the same applied magnetic field B 0.
He derived equations for the line intensities which were a decided improvement over Kramers's results obtained by the old quantum theory. While the first-order-perturbation (linear) Stark effect in hydrogen is in agreement with both the old Bohr–Sommerfeld model and the quantum-mechanical theory of the atom, higher-order corrections are not. [9]
Using the Eyring equation, there is a straightforward relationship between ΔG ‡, first-order rate constants, and reaction half-life at a given temperature. At 298 K, a reaction with Δ G ‡ = 23 kcal/mol has a rate constant of k ≈ 8.4 × 10 −5 s −1 and a half life of t 1/2 ≈ 2.3 hours, figures that are often rounded to k ~ 10 −4 s ...