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Molecular dynamics
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Convergence of numerical methods
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Hamiltonians
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Hydrogen peroxide
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Optical resolving power
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Optical rotation
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Optical rotatory power
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Torque
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Configuration interactions
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Dielectric medium
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Electronic structure
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Frequency dependent
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Geometry optimization
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Magnetic resonance
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Molecular gradient
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Molecular properties
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Multiconfigurational self-consistent fields
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Numerical methods
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Quantum chemistry
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Quantum theory
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Two photon processes
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Vibrational study
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1Materias: “...Convergence of numerical methods...”
Artículo publishedVersion -
2Materias: “...Convergence of numerical methods...”
Artículo publishedVersion -
3Materias: “...Convergence of numerical methods...”
JOUR -
4por Aidas, K., Angeli, C., Bak, K.L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E.K., Ekström, U., Enevoldsen, T., Eriksen, J.J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L., Hald, K., Halkier, A., Hättig, C., Heiberg, H., Helgaker, T., Hennum, A.C., Hettema, H., Hjertenæs, E., Høst, S., Høyvik, I.-M., Iozzi, M.F., Jansík, B., Jensen, H.J.A., Jonsson, D., Jørgensen, P., Kauczor, J., Kirpekar, S., Kjærgaard, T., Klopper, W., Knecht, S., Kobayashi, R., Koch, H., Kongsted, J., Krapp, A., Kristensen, K., Ligabue, A., Lutnæs, O.B., Melo, J.I., Mikkelsen, K.V., Myhre, R.H., Neiss, C., Nielsen, C.B., Norman, P., Olsen, J., Olsen, J.M.H., Osted, A., Packer, M.J., Pawlowski, F., Pedersen, T.B., Provasi, P.F., Reine, S., Rinkevicius, Z., Ruden, T.A., Ruud, K., Rybkin, V.V., Sałek, P., Samson, C.C.M., de Merás, A.S., Saue, T., Sauer, S.P.A., Schimmelpfennig, B., Sneskov, K., Steindal, A.H., Sylvester-Hvid, K.O., Taylor, P.R., Teale, A.M., Tellgren, E.I., Tew, D.P., Thorvaldsen, A.J., Thøgersen, L., Vahtras, O., Watson, M.A., Wilson, D.J.D., Ziolkowski, M., Ågren, H.Materias: “...Numerical methods...”
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