(Q59613770)

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Ab initio calculations of zero-field splitting parameters in linear polyacenes

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Ab initio calculations of zero-field splitting parameters in linear polyacenes (English)

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O. Loboda

1

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Boris Minaev

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B. Minaev

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2

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Kenneth Ruud

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K. Ruud

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6

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O. Vahtras

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3

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B. Schimmelpfennig

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4

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H. Ågren

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5

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D. Jonsson

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7

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publication date

January 2003

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published in

Chemical Physics

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volume

286

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issue

1

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page(s)

127-137

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cites work

AB initio calculation of the zero-field splittings of the X3Σg− and B3Πg,i states of the S2 molecule

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Ab initio calculations of zero-field splitting parameters

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7 January 2021

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A mean-field spin-orbit method applicable to correlated wavefunctions

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Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

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https://api.crossref.org/works/10.1016%2FS0301-0104%2802%2900914-X

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7 January 2021

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A THEOREM ON ZERO-FIELD SPLITTINGS

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10.1016/S0301-0104(02)00914-X

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(Q59613770)

Ab initio calculations of zero-field splitting parameters in linear polyacenes

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