. "from complex chemistry to new physics"@en . . "4" . "1) Introduction: Operators, atomic units, molecular Hamiltonian, and Born-Oppenheimer approximation. 2) General introduction to the many-electron theory • The Hartree-Fock (HF) method (self-consistent field approach, canonical orbitals, Slater-Condon rules, and Koopman's theorem) • Density Functional Theory (DFT) (the Hohenberg–Kohn theorems, v- and N-representability, and Kohn–Sham Density Functional Theory (non\u0002interacting kinetic energy and the Kohn–Sham equations) • Gaussian basis sets (Gaussian and Slater-type orbitals, spherical and cartesian Gaussians, extrapolation techniques), molecular orbitals, electron density-their interpretation and visualization • A brief introduction to the post-Hartree-Fock methods: Moller-Plesset perturbation theory, Configuration Interaction, and Coupled-Cluster Ansatz • Time-dependent HF and DFT methods • Atomic and molecular properties (dipole moments, electronic spectra, transition dipole moments, and dipole polarizabilities) • Technical aspects of electronic structure calculations: convergence difficulties, point group symmetries, convergence acceleration (damping, level shifting, and the direct inverse iterative subspace (DIIS) technique), scans of potential energy surfaces and analysis of dissociation energy limits • Example calculations: singlet-triplet excitations, local, charge-transfer, and Rydberg excited states 3) Nuclear motion • Potential energy curves of diatomic molecules • Bound state energies: discrete variable representation (DVR) and Numerov methods • Rotational spectroscopy • Vibrational transitions in diatomic molecules • Polyatomic molecules: vibrational SCF • Cold collisions and near-threshold bound states 4) Case studies • Chemical reaction energies, reactivity, and formation of simple amino acids • Spectroscopy of simple molecules: NH and SrF • Hyperfine structure, isotopic effects in spectroscopy, and standard model violation effects" . . "Presential"@en . "TRUE" . . "Other Chemistry Kas"@en . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . "Master in Physics and Astronomy (PandA)"@en . . "https://www.fizyka.umk.pl/panel/wp-content/uploads/PandA_2022_23.pdf" . "180"^^ . "Presential"@en . "no data"@en . . . "2"@en . "FALSE" . . "Master"@en . "Thesis" . "no tuition, other costs may apply" . "Polish Zloty"@en . "20000.00" . "None" . "Graduates of astronomical and physical studies at the Nicolaus Copernicus University successfully find themselves in doctoral schools in Poland and abroad. They are employed as specialists in research centers, they are valued specialists in the operation of advanced devices and computer systems, they are great at popularizing science. They easily learn new skills, are not afraid of difficult challenges and quickly advance to managerial positions. Equipped with knowledge and methods of exploring both the micro and nano-world, as well as the most distant corners of the cosmos, you will easily find a place for yourself in the world of new technologies."@en . "no data" . "TRUE" . "Upstream"@en . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .