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2.1. THEORETICALDESCRIPTIONSOFMATTER 19 HΨ = EΨ, (2.5) wherein the Hamiltonian (H) operates on the wave function to provide the en- ergy E of the wave function. H mainly appears in two forms. The first one, yielding the time-independent Schrödinger equation, describes the properties of systems with no external electric or magnetic fields, and systems for which rel- ativistic effects (which become important for the heavier elements) can be disre- garded . The second one, which is capable of describing such systems, is the time- dependent Schrödinger equation. In the present thesis, only the time-independent Schrödinger equation is considered.[131, 132] The form of the Hamiltonian for the time-independent SE is the following[132]: h ̄ 2 h ̄ 2 e 2 Z e 2 e 2 Z Z H=−∑ ∇2i−∑ ∇2k−∑∑ k+∑ +∑ k l, (2.6) i2me k2mk ikrik iPDF Image | Studies of Electrode Processes in Industrial Electrosynthesis
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