Bernard Kirtman - researchr alias

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Viewing Publication 1 - 5 from 5

2013

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilitiesIreneusz W. Bulik, Robert Zalesny, Wojciech Bartkowiak, Josep M. Luis, Bernard Kirtman, Gustavo E. Scuseria, Aggelos Avramopoulos, Heribert Reis, Manthos G. Papadopoulos. jcc, 34(20):1775-1784, 2013. [doi]

2011

Electronic and vibrational linear and nonlinear polarizabilities of Li@C::60:: and [Li@C::60::]:::+:::H. Reis, O. Loboda, A. Avramopoulos, M. G. Papadopoulos, Bernard Kirtman, Josep M. Luis, R. Zalesny. jcc, 32(5):908-914, 2011. [doi]

2002

Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correctionOlivier Quinet, Benoît Champagne, Bernard Kirtman. jcc, 23(15):1495-1496, 2002. [doi]

2001

Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correctionOlivier Quinet, Benoît Champagne, Bernard Kirtman. jcc, 22(16):1920-1932, 2001. [doi]

2000

Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic propertiesBernard Kirtman, Benoît Champagne, Josep M. Luis. jcc, 21(16):1572-1588, 2000. [doi]

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