Eigenvalue correlation diagrams for effective hamiltonians: The ESR spectrum of axial Gd(III)

Ellzey, M. L.

doi:10.1007/bf01170008

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If? Properties and Tabulation Of The Nitm1

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1991

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“…Selected NITM are tabulated in Tables I and I1 for j , j' = 0,1/2,1. Square NITM for J = 2 are tabulated in [2] and f o r j = 7/2 in [3].…”

Section: If? Properties and Tabulation Of The Nitmmentioning

confidence: 99%

Normalized irreducible tensorial matrix expansions applied to an effective sp‐type Hamiltonian for the PES of water

Ellzey

1991

Int J of Quantum Chemistry

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Any matrix can be expanded on a basis of su(2) normalized irreducible tensorial matrices, NITM, defined in terms of 3-j symbols or coupling coefficients of su(2). The NITM transform under rotations according to Wigner's matrices. If one dimension of an NITM is odd and the other even, the tensor has half-integer rank. A simple NITM basis consists of all NITM having the same numbers of rows and columns as the expanded matrix. A compound NITM basis consists of two or more simple bases, each spanning a corresponding block in the expanded matrix. The choice of NITM basis for expanding an effective Hamiltonian matrix is a crucial step in formulating a model. To illustrate the use of a compound NITM basis, including nonsquare NITM, an effective sp-type overlap-free superposition Hamiltonian is constructed and applied to the photoelectron ionization potential spectrum of water.

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“…Selected NITM are tabulated in Tables I and I1 for j , j' = 0,1/2,1. Square NITM for J = 2 are tabulated in [2] and f o r j = 7/2 in [3].…”

Section: If? Properties and Tabulation Of The Nitmmentioning

confidence: 99%

Normalized irreducible tensorial matrix expansions applied to an effective sp‐type Hamiltonian for the PES of water

Ellzey

1991

Int J of Quantum Chemistry

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Expression of theSU(2) rotation matrices D( j ) in terms of normalized irreducible tensorial matrices

Ellzey

1991

J Math Chem

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Eigenvalue correlation diagrams for effective hamiltonians: The ESR spectrum of axial Gd(III)

Cited by 2 publications

References 6 publications

Normalized irreducible tensorial matrix expansions applied to an effective sp‐type Hamiltonian for the PES of water

Normalized irreducible tensorial matrix expansions applied to an effective sp‐type Hamiltonian for the PES of water

Expression of theSU(2) rotation matrices D( j ) in terms of normalized irreducible tensorial matrices

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