Ludwik Adamowicz

Born 29 January 1950 in Warsaw, Poland. Dual citizen of Poland and USA.

Professor of Chemistry, Department of Chemistry and Biochemistry, University of Arizona.

Email:ludwik@arizona.edu

M.Sc. University of Warsaw; Ph.D. Institute of Physical Chemistry, Polish Academy of Sciences.

Author of:

Important Contributions:

• Implementation of Gaussian geminals in variational-perturbational calculation of molecular electron correlation energy employing the second-order Hylleraas functional; Implementation of numerical orbitals in multi-configurational self-consistent-field (MCSCF) calculations of diatomic systems; Development of an algorithm for calculating the analytical energy gradient for the single-reference coupled cluster (CC) method using the Lagrangian approach; Implementation of diatomic numerical orbitals in coupled-cluster calculations; Development of a method for generating a compact set of active virtual orbitals (the OVOS method) by the minimization of the second-order Hylleraas functional determined for the active-orbital set. The OVOS orbitals are to be used in CC calculations for larger molecular systems; Development of state-selective multi-reference coupled cluster method (SSMRCC) based on a single-reference approach for studying bond dissociation and electronic-excitation processes. The more recent version of the method called CASCC involves spin adaptation of the multi-reference CC wave function; The first implementation of the CC method with single, double, triple, and quadruple excitations (CCSDTQ); Development of theory for quantum-mechanical calculations of atoms and molecules with an arbitrary number of electrons without assuming the non-Born-Oppenheimer (non-BO) approximation and employing various types of all-particle explicitly-correlated Gaussian functions (ECGs) with real and complex exponential parameters. Implementation of the analytical energy gradient in variational optimization of these parameters in both the BO and non-BO approaches. High-precision atomic and molecular non-BO calculations that include the leading relativistic and QED effects; Development of non-BO ECG methods for modeling quantum dynamics of small atomic and molecular systems subject to the interaction with high-frequency ultra-short electric and magnetic pulses; Development methods for modeling the dynamics of the charge and energy transport in large inhomogeneous molecular plymers (DNA, proteins, etc.); Collaboration with experimentalists in studies on: rovibrational spectroscopy of small diatomic and triatomic ions; vibrational spectroscopy of gas-phase and matrix-isolated biological systems; photochemistry of nucleic acid bases and their complexes; covalent and dipole-bound electron attachment to molecules and clusters; and chemistry and spectroscopy of functionalized graphenes, fullerenes, and carbon nanotubes.