Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields
نویسندگان
چکیده
منابع مشابه
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متن کاملErratum: Non-perturbative effects in spin glasses
Scientific Reports 5:8697; doi: 10.1038/srep08697; published online 03 March 2015; updated on 18 December 2015 This Article contains a typographical error in the Introduction section. although the existence of a such a transition below the upper critical dimension is still under debate16,17. should read: although the existence of such a transition below the upper critical dimension is still und...
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We give an explicit comparison of eigenvalues and eigenvectors of XY Hamiltonians of an open linear spin-1/2 chain and a closed spin-1/2 ring with periodic in space coefficients. It is shown that the Hamiltonian of a k-periodic chain with nk − 1 sites has (n − 1)k multiplicity one eigenvalues which are eigenvalues of multiplicity two for a Hamiltonian of a k-periodic ring with 2kn sites. For th...
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By means of non-perturbative ab initio calculations, it is shown that paramagnetic closed-shell molecules are characterized by a strongly non-linear magnetic response, whose main feature consists of a paramagnetic-to-diamagnetic transition in a strong magnetic field. The physical origin of this phenomenon is rationalised on the basis of an analytical model based on molecular orbital theory. For...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2018
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5029431