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  • t2, Y ' - (Y," - Y ) - y . E, Yz" &Y YF2) .: Ch. 3 Crystal Field Theory

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    This document summarizes crystal field theory as it relates to angular momentum operators in a basis set. Key points: 1) Angular momentum operators Lx, Ly, and Lz are represented by matrices when working in a basis of {$1,$0,$-1, +1, $2}. 2) Within the t2g subspace, the angular momentum operators resemble those of p orbitals. 3) It can be asserted that within the t2g subspace, the angular momentum operator L is equal to minus the angular momentum operator of p orbitals.

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    General Document 154

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    00152___81c21b1cd0607d7ac3a1417dabf6b552

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    This document summarizes crystal field theory as it relates to angular momentum operators in a basis set. Key points: 1) Angular momentum operators Lx, Ly, and Lz are represented by matrices when working in a basis of {$1,$0,$-1, +1, $2}. 2) Within the t2g subspace, the angular momentum operators resemble those of p orbitals. 3) It can be asserted that within the t2g subspace, the angular momentum operator L is equal to minus the angular momentum operator of p orbitals.

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    6 views1 page

    t2, Y ' - (Y," - Y ) - y . E, Yz" &Y YF2) .: Ch. 3 Crystal Field Theory

    Uploaded by

    Kamleshkekane1
    This document summarizes crystal field theory as it relates to angular momentum operators in a basis set. Key points: 1) Angular momentum operators Lx, Ly, and Lz are represented by matrices when working in a basis of {$1,$0,$-1, +1, $2}. 2) Within the t2g subspace, the angular momentum operators resemble those of p orbitals. 3) It can be asserted that within the t2g subspace, the angular momentum operator L is equal to minus the angular momentum operator of p orbitals.

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    of 1

    136 Ch.

    3 Crystal Field Theory

    t2, subspace (omitting the r-dependent factors)

    =Y;’ 1
    - -(Y,” -Y; 2
    ) = -y;.
    $1 0 4-1 (3.97)
    $ -Jz
    For the e, states we keep the original
    1
    $1 = Yz” $2 = &Y; + YF2). (3.98)

    In the basis { $1,$0,$-1, + I , $2) (strictly in this order), the angular momentum
    operators are represented by the matrices

    L, = --

    i(j!-;IF;)
    -1 0 1

    L, = --

    ;I)
    Jz 3 0 3 0

    [;
    0

    L, = - 0 0 - 1 0 0 (3.99)

    0 - 2 0 0 0
    First, let us consider the action of L within the tag subspace. The 3 x 3 diagonal
    blocks remind us of the I = 1 angular momentum operators. In fact, in the
    standard pbasis {Y:,Y:, Y;’}, the components of L look like

    L i . ) = L ( 01 01 01 ) Lp+( 01 0 )
    1
    Jz 0 1 0 -1 0

    Ly= (; ; -4)
    1 0 0
    (3.100)

    Thus we can assert that, within the subspace of tag functions,


    L(t2g) = -L(p). (3.101)

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