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Cross sections of the first Orbitals of the Dihydrogen Cation (H2+)
Автор: Maxime υ
Загружено: 27 февр. 2023 г.
Просмотров: 239 просмотров
Описание:
Cross sections of the first Orbitals of the Dihydrogen Cation (H2+).
Potential of H2+ is given by V(x, y) = -1/((x-R)² + y²)^(1/2) - 1/((x+R)² + y²)^(1/2) + 1/(2R) where R is the distance between the 2 nucleus.
We can then comput the hamiltonien using derivative approximation for the Laplacian and calculate his eigenvalues and eigenvectors.
The color represents the probability density of finding the electron at a given place, white is more likely, black is less likely.
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