Erinnerung an die Hund’schen Regeln (siehe auch Abschnitt 6.8.2.2):
Dies bedeutet, dass Zustände mit der höchsten Multiplizität energetisch am tiefsten liegen. Die Gesamtwellenfunktion muss antisymmetrisch sein.
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maximal ist. Dann ist die Drehimpulsquantenzahl
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Zustände liegen bei gleicher Multiplizität 2S + 1 des Gesamtspins energetisch umso tiefer, je grösser L ist.
Wenn ℓ der Bahndrehimpuls einer Konfiguration von k Elektronen ist, wird die Berechnung der Elektronenzustände der Konfiguration ℓk bei LS-Kopplung (leichte Atome) anhand der Hund’schen Regeln wie folgt durchgeführt:
Die folgenden Tabellen geben einen Überblick über die Konfigurationen:
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weniger | ||||||
als | ||||||
e−- | m
ℓ | S | L | halb | J | Konfi- |
konf. | 0 | halb gefüllt? | guration | |||
s1 | ↓ | 0 | ja | 2S | ||
s2 | ↑↓ | 0 | 0 | nein | 0 | 1S 0 |
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weniger | ||||||||
als | ||||||||
e−- | m
ℓ | S | L | halb | J | Konfi- | ||
konf. | −1 | 0 | 1 | gefüllt? | guration | |||
p1 | ↓ | 1 | ja | 2P | ||||
p2 | ↓ | ↓ | 1 | 1 | ja | 0 | 3P 0 | |
p3 | ↓ | ↓ | ↓ | 0 | ja | 4S | ||
p4 | ↓ | ↓ | ↑↓ | 1 | 1 | nein | 2 | 3P 2 |
p5 | ↓ | ↑↓ | ↑↓ | 1 | nein | 2P | ||
p6 | ↑↓ | ↑↓ | ↑↓ | 0 | 0 | nein | 0 | 1S 0 |
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weniger | ||||||||||
als | ||||||||||
e−- | S | L | halb | J | Konfi- | |||||
konf. | −2 | −1 | 0 | 1 | 2 | gefüllt? | guration | |||
d1 | ↓ | 2 | ja | 2D | ||||||
d2 | ↓ | ↓ | 1 | 3 | ja | 2 | 3F 2 | |||
d3 | ↓ | ↓ | ↓ | 3 | ja | 4F | ||||
d4 | ↓ | ↓ | ↓ | ↓ | 2 | 2 | ja | 0 | 5D 0 | |
d5 | ↓ | ↓ | ↓ | ↓ | ↓ | 0 | ja | 6S | ||
d6 | ↓ | ↓ | ↓ | ↓ | ↑↓ | 2 | 2 | nein | 4 | 5D 4 |
d7 | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | 3 | nein | 4F | ||
d8 | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | 1 | 3 | nein | 4 | 3F 4 |
d9 | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 2 | nein | 2D | ||
d10 | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 0 | 0 | nein | 0 | 1S 0 |
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weniger | ||||||||||||
als | ||||||||||||
e−- | S | L | halb | J | Konfi- | |||||||
konf. | −3 | −2 | −1 | 0 | 1 | 2 | 3 | gefüllt? | guration | |||
f1 | ↓ | 3 | ja | 2F | ||||||||
f2 | ↓ | ↓ | 1 | 5 | ja | 4 | 3H4 | |||||
f3 | ↓ | ↓ | ↓ | 6 | ja | 4I | ||||||
f4 | ↓ | ↓ | ↓ | ↓ | 2 | 6 | ja | 4 | 5I4 | |||
f5 | ↓ | ↓ | ↓ | ↓ | ↓ | 5 | ja | 6H | ||||
f6 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 3 | 3 | ja | 0 | 7F0 | |
f7 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 0 | ja | 8S | ||
f8 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | 3 | 3 | nein | 6 | 7F6 |
f9 | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | 5 | nein | 6H | ||
f10 | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | 2 | 6 | nein | 8 | 5I8 |
f11 | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 6 | nein | 4I | ||
f12 | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 1 | 5 | nein | 6 | 3H6 |
f13 | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 3 | nein | 2F | ||
f14 | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 0 | 0 | nein | 0 | 1S0 |
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weniger | ||||||||||||||
als | ||||||||||||||
e−- | S | L | halb | J | Konfi- | |||||||||
konf. | −4 | −3 | −2 | −1 | 0 | 1 | 2 | 3 | 4 | gefüllt? | guration | |||
g1 | ↓ | 4 | ja | 2G | ||||||||||
g2 | ↓ | ↓ | 1 | 7 | ja | 6 | 3J6 | |||||||
g3 | ↓ | ↓ | ↓ | 9 | ja | 4L | ||||||||
g4 | ↓ | ↓ | ↓ | ↓ | 2 | 10 | ja | 8 | 5M8 | |||||
g5 | ↓ | ↓ | ↓ | ↓ | ↓ | 10 | ja | 6M | ||||||
g6 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 3 | 9 | ja | 6 | 7L6 | |||
g7 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 7 | ja | 8J | ||||
g8 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 4 | 4 | ja | 0 | 9G0 | |
g9 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 0 | ja | 10S | ||
g10 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | 4 | 4 | nein | 8 | 9G8 |
g11 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | 7 | nein | 8J | ||
g12 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | 3 | 9 | nein | 12 | 7L12 |
g13 | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 10 | nein | 6M | ||
g14 | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 2 | 10 | nein | 12 | 5M12 |
g15 | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 9 | nein | 4L | ||
g16 | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 1 | 7 | nein | 8 | 3J8 |
g17 | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 4 | nein | 2G | ||
g18 | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 0 | 0 | nein | 0 | 1S0 |
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weniger | ||||||||||||||||
als | ||||||||||||||||
e−- | S | L | halb | J | Konfi- | |||||||||||
konf. | −5 | −4 | −3 | −2 | −1 | 0 | 1 | 2 | 3 | 4 | 5 | gefüllt? | guration | |||
h1 | ↓ | 5 | ja | 2H | ||||||||||||
h2 | ↓ | ↓ | 1 | 9 | ja | 8 | 3L8 | |||||||||
h3 | ↓ | ↓ | ↓ | 12 | ja | 4O | ||||||||||
h4 | ↓ | ↓ | ↓ | ↓ | 2 | 14 | ja | 12 | 5Q12 | |||||||
h5 | ↓ | ↓ | ↓ | ↓ | ↓ | 15 | ja | 6R | ||||||||
h6 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 3 | 15 | ja | 12 | 7R12 | |||||
h7 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 14 | ja | 8Q | ||||||
h8 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 4 | 12 | ja | 8 | 9O8 | |||
h9 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 9 | ja | 10L | ||||
h10 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 5 | 5 | ja | 0 | 11H0 | |
h11 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 0 | ja | 12S | ||
h12 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | 5 | 5 | nein | 10 | 11H10 |
h13 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | 9 | nein | 10L | ||
h14 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | 4 | 12 | nein | 16 | 9O16 |
h15 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 14 | nein | 8Q | ||
h16 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 3 | 15 | nein | 18 | 7R18 |
h17 | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 15 | nein | 6R | ||
h18 | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 2 | 14 | nein | 16 | 5Q16 |
h19 | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 12 | nein | 4O | ||
h20 | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 1 | 9 | nein | 10 | 3L10 |
h21 | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 5 | nein | 2H | ||
h22 | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 0 | 0 | nein | 0 | 1S0 |
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weniger | ||||||||||||||||||
als | ||||||||||||||||||
e−- | S | L | halb | J | Konfi- | |||||||||||||
konf. | −6 | −5 | −4 | −3 | −2 | −1 | 0 | 1 | 2 | 3 | 4 | 5 | 6 | gefüllt? | guration | |||
i1 | ↓ | 6 | ja | 2I | ||||||||||||||
i2 | ↓ | ↓ | 1 | 11 | ja | 10 | 3N10 | |||||||||||
i3 | ↓ | ↓ | ↓ | 15 | ja | 4R | ||||||||||||
i4 | ↓ | ↓ | ↓ | ↓ | 2 | 18 | ja | 16 | 5U16 | |||||||||
i5 | ↓ | ↓ | ↓ | ↓ | ↓ | 20 | ja | 6W | ||||||||||
i6 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 3 | 21 | ja | 18 | 7X18 | |||||||
i7 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 21 | ja | 8X | ||||||||
i8 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 4 | 20 | ja | 16 | 9W16 | |||||
i9 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 18 | ja | 10U | ||||||
i10 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 5 | 15 | ja | 10 | 11R10 | |||
i11 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 11 | ja | 12N | ||||
i12 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 6 | 6 | ja | 0 | 13I0 | |
i13 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | 0 | ja | 14S | ||
i14 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | 6 | 6 | nein | 12 | 13I12 |
i15 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | 11 | nein | 12N | ||
i16 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | 5 | 15 | nein | 20 | 11R20 |
i17 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 18 | nein | 10U | ||
i18 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 4 | 20 | nein | 24 | 9W24 |
i19 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 21 | nein | 8X | ||
i20 | ↓ | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 3 | 21 | nein | 24 | 7X24 |
i21 | ↓ | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 20 | nein | 6W | ||
i22 | ↓ | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 2 | 18 | nein | 20 | 5U20 |
i23 | ↓ | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 15 | nein | 4R | ||
i24 | ↓ | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 1 | 11 | nein | 12 | 3N12 |
i25 | ↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 6 | nein | 2I | ||
i26 | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | ↑↓ | 0 | 0 | nein | 0 | 1S0 |
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Die Tabellen können mit dem folgenden Mathematica-Code berechnet werden:
Für ℓ > 6 muss die Liste „lett“ verlängert werden.