Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field
The interaction Hamiltonian within the Bloch gauge for the potentials of the electromagnetic field has been used to define magnetic multipole moment operators and operators for the magnetic field of electrons acting on the nuclei of a molecule in the presence of nonhomogeneous external magnetic fiel...
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| Formato: | Capítulo de libro |
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1996
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| Acceso en línea: | Registro en Scopus Handle Registro en la Biblioteca Digital |
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| LEADER | 05192caa a22006857a 4500 | ||
|---|---|---|---|
| 001 | PAPER-3398 | ||
| 003 | AR-BaUEN | ||
| 005 | 20250321085845.0 | ||
| 008 | 190411s1996 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-7744225442 | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 100 | 1 | |a Caputo, María Cristina | |
| 245 | 1 | 0 | |a Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field |
| 260 | |c 1996 | ||
| 270 | 1 | 0 | |m Caputo, M.C.; Depto. de Física, F.C.E.y N., Universidad de Buenos Aires (1428), Pab. I, Buenos Aires, Argentina |
| 504 | |a Van Vleck, J.H., (1932) The Theory of the Electric and Magnetic Susceptibilities, , Oxford University Press | ||
| 504 | |a Ramsey, N.F., (1950) Phys Rev, 78, p. 699 | ||
| 504 | |a (1952) Phys Rev, 86, p. 243 | ||
| 504 | |a (1956) Molecular Beams, , Oxford University Press, London | ||
| 504 | |a Lazzeretti, P., (1987) Adv Chem Phys, 75, p. 507 | ||
| 504 | |a Lazzeretti, P., (1993) Theor Chim Acta, 87, p. 59 | ||
| 504 | |a Caputo, M.C., Ferraro, M.B., Lazzeretti, P., Malagoli, M., Zanasi, R., (1994) Phys Rev A, 49, p. 3445 | ||
| 504 | |a Caputo, M.C., Ferraro, M.B., Lazzeretti, P., Malagoli, M., Zanasi, R., (1994) J Molec Struct THEOCHEM, 305, p. 89 | ||
| 504 | |a Raab, R.E., (1975) Molec Phys, 29, p. 1323. , and references therein | ||
| 504 | |a Bloch, F., (1961) W. Heisenberg und Die -Physik Unserer Zeit, p. 93. , Friedr Vieweg & Sohn, Braunschweig | ||
| 504 | |a Buckingham, A.D., Stiles, P.J., (1972) Molec Phys, 24, p. 99 | ||
| 504 | |a Barron, L.D., Gray, C.G., (1973) J Phys A: Math Nucl Gen, 6, p. 59 | ||
| 504 | |a Woolley, R.G., (1973) J Phys B: Atom Mol Phys, 6, pp. L97 | ||
| 504 | |a Rowe, D.J., (1968) Rev Mod Phys, 40, p. 153 | ||
| 504 | |a Lazzeretti, P., Malagoli, M., Turci, L., Zanasi, R., (1993) J Chem Phys, 99, p. 6027 | ||
| 504 | |a Epstein, S.T., (1974) The Variation Method in Quantum Chemistry, , Academic, New York | ||
| 504 | |a Lazzeretti, P., Zanasi, R., (1986) Phys Rev, A33, p. 3727 | ||
| 504 | |a Lazzeretti, P., Zanasi, R., (1987) J Chem Phys, 87, p. 472 | ||
| 504 | |a Hehre, W.J., Radom, L., Schleyer, P.V.R., Pople, J.A., (1986) Ab Initio Molecular Orbital Theory, , Wiley, New York | ||
| 504 | |a Lazzeretti, P., Zanasi, R., (1986) J Chem Phys, 84, p. 3916 | ||
| 504 | |a Lazzeretti, P., Zanasi, R., (1986) J Chem Phys, 85, p. 5932 | ||
| 504 | |a Van Duijneveldt, F.B., (1971) IBM Res Rept RJ, p. 945 | ||
| 504 | |a Lazzeretti, P., Zanasi, R., Bursi, R., (1988) J Chem Phys, 89, p. 987 | ||
| 504 | |a Ferraro, M.B., Herr, T.E., Lazzeretti, P., Malagoli, M., Zanasi, R., (1993) J Chem Phys, 98, p. 4030 | ||
| 504 | |a Lezzeretti, P., Zanasi, R., (1985) Phys Rev A, 32, p. 2607 | ||
| 504 | |a Cohen, E.R., Taylor, B.N., (1987) Rev Mod Phys, 59, p. 1121 | ||
| 504 | |a Runge, K., Sabin, J.R., (1996) Preliminary Report to the Thirty-Sixth Sanibel Symposium, , to be published, Feb | ||
| 504 | |a McConnell, H.M., (1957) J Chem Phys, 27, p. 226 | ||
| 506 | |2 openaire |e Política editorial | ||
| 520 | 3 | |a The interaction Hamiltonian within the Bloch gauge for the potentials of the electromagnetic field has been used to define magnetic multipole moment operators and operators for the magnetic field of electrons acting on the nuclei of a molecule in the presence of nonhomogeneous external magnetic field. Perturbation theory has been applied to evaluate the induced electronic moments and magnetic field at the nuclei. Multipole magnetic susceptibility and nuclear magnetic shielding tensors have been introduced to describe the contributions arising in nonuniform fields, and their origin dependence has been analyzed. Extended numerical tests on the ammonia molecule in a static, nonuniform magnetic field have been carried out, using the random-phase approximation within the framework of accurate Hartree-Fock zero-order wavefunctions, and allowing for both angular momentum and torque formalisms in the calculation of paramagnetic contributions. |l eng | |
| 593 | |a Depto. de Física, F.C.E.y N., Universidad de Buenos Aires (1428), Pab. I, Buenos Aires, Argentina | ||
| 593 | |a Dipartimento di Chimica, Università degli Studi, via Campi 183, I-41100 Modena, Italy | ||
| 690 | 1 | 0 | |a MAGNETIC MULTIPOLES |
| 690 | 1 | 0 | |a MAGNETIC SUSCEPTIBILITY |
| 690 | 1 | 0 | |a NONUNIFORM MAGNETIC FIELD |
| 690 | 1 | 0 | |a NUCLEAR MAGNETIC SHIELDING |
| 700 | 1 | |a Ferraro, Marta Beatriz | |
| 700 | 1 | |a Lazzeretti, P. | |
| 773 | 0 | |d 1996 |g v. 94 |h pp. 155-176 |k n. 3 |p Theor. Chem. Acc. |x 1432881X |w (AR-BaUEN)CENRE-7026 |t Theoretical Chemistry Accounts | |
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