个人简介

M.S. 1973, Warsaw University Ph.D. 1977, Institute of Physical Chemistry of the Polish Academy of Sciences

研究领域

Physical/Biophysics/Chemical Physics/Materials and Polymer Chemistry/Nucleic Acids and Genomes/Spectroscopy/molecular Structure/Theory/Modeling/and Simulation

Quantum and Computational Chemistry My research has been focused on the development and application of quantum chemical theoretical methods for more accurate determination of the stationary and dynamic quantum states of molecular systems. The methodological development has comprised theory formulation, computational implementation and application calculations. The considerable recent progress in the computational capabilities of both hardware and software opens a unique opportunity to employ new theoretical techniques to larger polyatomic molecules, leading to more reliable predictions of their properties and structures.

近期论文

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M. Pavanello, L. Adamowicz, A. Alijah, N. F. Zobov, I. I. Mizus, O. L. Polyansky, J. Tennyson, T. Szidarovszky, A. G. Csaszar, M. Berg, A. Petrignani, and A. Wolf, Precision Measurements and Computations of Transition Energies in Rotationally Cold Triatomic Hydrogen Ions up to the Midvisible Spectral Range, Phys.Rev.Lett., 108(2), 6351 (2012). W.C. Tung, M. Pavanello, L. Adamowicz, Very Accurate Potential Energy Curve of the He2+ ion. J. Chem. Phys.., 136, 104309, (2012). S. Bubin, L. Adamowicz, Explicitly Correlated Gaussian Calculations of the 2P0 Rydberg spectrum of the lithium atom, Mol. Phys., 136, 184303, (2012). M. Pavanello, L. Adamowicz, A. Alijah, N. Zobov, I. Mizus, O. Polyansky, J. Tennyson, T. Szidarovsz, A. Csaszar, Calibration-quality adiabatic potential energy surfaces for H-3(+) and its isotopologues, J. Chem. Phys., 136, 184303 (2012). Sharkey, K.L.; Bubin, S.; Adamowicz, L. Explicitly correlated Gaussian calculations of the 2D Rydberg states of the boron atom, J. Chem. Phys. A,137, 104315 (2012). S. Bubin and L. Adamowicz. Assessment of the accuracy the experimental energies of the 1Po 1s22s6p and 1s22s7p states of 9Be based on variational calculations with explicitly correlated Gaussians, J. Chem. Phys., 649, 137, 104315 (2012). S. Bubin, M. Pavanello, W.-Ch. Tung, K. Sharkey, and L. Adamowicz. Born-Oppenheimer (BO) and non-BO, atomic and molecular calculations with Explicitly Correlated Gaussians, Chem. Rev., 137, 36 (2013). W.-Ch. Tung, M. Pavanello, and L. Adamowicz, Accurate Potential Energy Curves for HeH+ Isotopologues. Ab initio Study, J. Chem. Phys., 137, 164305 (2012). V. V. Chagovets, M. V. Kosevich, S. G. Stepanian, O. A. Boryak, V. S. Shelkovsky, V. V. Orlov, V. S. Leontiev, V. A. Pokrovskiy, L. Adamowicz, and V. A. Karachevtsev, Noncovalent Interaction of Methylene Blue with Carbon Nanotubes: Theoretical and Mass Spectrometry Characterization, J. Phys.Chem C 116, 20579 (2012). M. Cafiero, L. Adamowicz, M. Duran, and J.M. Luis, Nonadiabatic and Born-Oppenheimer Calculations of the Polarizabilites of LiH and LiD, J. Mol. Struct. 1025, 92 (2012). A. Yu. Ivanov, S. G. Stepanian, and L. Adamowicz, Tautomeric transitions of isocytosine isolated in argon and neon matrices induced by UV irradiation, J. Mol. Struct. 1025, 92 (2012). L. Adamowicz and M. Pavanello, Progress in calculating the potential energy surface of H-3(+), Phil. Trans. Roy. Soc. A. Math. Phys. Eng. Sci. 370, 5001 (2012).