Książka Local Density Approximations in Quantum Chemistry and Solid State Physics Jens Peder Dahl

Local Density Approximations in Quantum Chemistry and Solid State Physics

Język: Angielski
Oprawa: Miękka
Dostępność: Dostępna u dostawcy
Wysyłamy za 5-8 dni
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The· simplest picture of an atom, a molecule or a solid is the picture of its distribution of charge...

Informacje o książce

Język
Angielski
Oprawa
Książka - Miękka
Data wydania
2013
strony
851
EAN
9781489921444
ISBN
1489921443
Enbook ID
02254824
Waga
1678
Wymiary
178 x 254 x 48

Pełny opis

The· simplest picture of an atom, a molecule or a solid is the picture of its distribution of charge. It is obtained by specifying the positions of the atomic nuclei and by showing how the density, p(E), of the electronic charge-cloud varies from place to place. A much more detailed picture is provided by the many-electron wavefunction. This quantity shows not only the arrangement of the electrons with respect to the nuclei, but also the arrangement of the electrons with respect to each other, and it allows the evaluation of the total energy and other properties. The many-electron wavefunction is in principle obtained by solving the many-electron Schrodinger equation for the motion of the interacting electrons under the influ ence of the nuclei, but in practice the equation is unsolvable, and it is necessary to proceed by methods of approximation. Needless to say, .such methods will as a rule depend on the complexity of the system considered.

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