The variational method is useful because of its claim that the energy calculated for the system is always more than the actual energy. It does this by introducing a trial wavefunction and then calculating the energy based on it. If the trial wavefunction is chosen correctly, the variational method is quite accurate.
Jan 29, 2023
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In this letter we analyse an amazing variational approach to chemical reactions. Our results clearly show that the variational expressions are unsuitable for ...
Jun 4, 2009 · Abstract: In this letter we analyse an amazing variational approach to chemical reactions. Our results clearly show that the variational ...
The most original and valuable result is inclusion of chemical reactions in variational dynamics, with chemical nonlinearities governed by kinetics of mass ...
In quantum mechanics, the variational method is one way of finding approximations to the lowest energy eigenstate or ground state, and some excited states.
Feb 22, 2023 · The variational method is the procedure that is used to find the lowest energy and the best values for the variable parameters.
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In this letter we analyse an amazing variational approach to chemical reactions. Our results clearly show that the variational expressions are unsuitable ...
Dec 28, 2020 · We extend the energetic variational approach so it can be applied to a chemical reaction system with general mass action kinetics.
Analogous to other dynamical phenomena, a chemical reaction is controlled by variational principles. It is shown that the intrinsic reaction coordinate (IRC) ...
Feb 10, 2001 · The authors explored variational principles that help one understand chemical reactivity on the basis of the changes in electron density associated with a ...
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