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Euler-Lagrange equations, electron nuclear

Euler-Lagrange equations, electron nuclear dynamics (END), time-dependent variational principle (TDVP) basic ansatz, 330-333 free electrons, 333-334 Evans-Dewar-Zimmerman approach, phase-change rule, 435... [Pg.76]

As the electronic energy is a function of the nuclear position as well as function of the wavefunctions , its derivative is once taken not only with respect to the nuclear position but also with respect to the wavefunction. The Euler - Lagrange equations then read ... [Pg.118]

See other pages where Euler-Lagrange equations, electron nuclear is mentioned: [Pg.229]    [Pg.333]    [Pg.11]    [Pg.11]    [Pg.333]    [Pg.2449]    [Pg.55]   


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