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variational method变分法The basic idea is now to search through all possible values of a/b and d until you find the values that give the lowest energy.This sort of method is called a “variational method” because at the minimum of energy, the derivatives of the energy must be zero. That in turn means that the energy does not vary with infinitesimally small changes in the parameters a/b and d.
The minimum energy occurs when a = b, the symmetric state, and at a separation distance between the protons equal to about 1.3 A. This separation distance is called the “bond length”. The minimum energy is found to be about 1.8 eV below the energy of -13.6 eV when the protons are far apart. So it will take at least 1.8 eV to take the ground state with the protons at a distance of 1.3A completely apart into well separated protons. For that reason, the 1.8 eV is called the “binding energy”.
(The best approximation to the ground state using approximate wave functions is the one with the lowest energy. Making such an approximation is called a variational method.)
The energy should be evaluated as the expectation value of the Hamiltonian
Multi-particle system
Electrons, as well as most other quantum particles, have intrinsic angular momentum called “spin”. It is quantized much like orbital angular momentum. Electrons can either have spin angular momentum 1/2 or ?1/2 in a given direction. It is said that the electron has spin 1/2. Photons can have angular momentum , 0, or ? in a given direction and have spin 1. Particles with half-integer spin like electrons are called fermions. Particles with integer spin like photons are called bosons.
In particular, wave functions must stay the same if two identical bosons, say two photons, are interchanged. Wave functions must change sign when any two electrons, or any other two identical fermions, are interchanged. This is so-called antisymmetrization.
It is then seen that the requirement for fermions can be formulated as the so-called Pauli exclusi
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