Content of lectures: The basic postulates of quantum mechanics ( wave function and probability density, physical quantity and hermitian operators , eigenvalues and functions , Dirac notation, the operators of position , momentum and energy , Hamiltonian, stationary Schroedinger equation , orbital and spin angular momentum ) One electron systems (particles in the potential well, harmonic oscillator , particle in a spherically symmetric potential field , atomic orbitals , ionization potential , Bohr frequency condition , selection rules ) Electronic structure of many-electron systems ( Approximate solutions of Schrodinger equation model of -independent electrons , Born- Oppenheimer approximation , build-up principle , Pauli principle , Hund's rule , Slater determinant , variational principle, Russell Sanders - binding , jj coupling , spectral symbolism , Hartee - Fock method of electronic structure calculations ) Chemical bond between two atomic molecules (Heitler - London method valence bonds , MO LCAO , electronic states of diatomic molecules , selection rules , a water molecule , the electronic structure of conjugated moleculles , Huckel method) Potential energy surface ( global, local minima , transition state , methods of finding , optimization algorithms Weak intermolecular interactions ( van der Waals bond , hydrogen bond ) Spectroscopy ( rotational and vibrational spectra of diatomic molecules , vibration of many-atomic molecules , IR spectroscopy , Raman spectroscopy , electron spectroscopy , fluorescence spectroscopy , NMR , ESR , circular dichroism , lasers , photochemistry ) Electric and magnetic properties of molecules ( dipole moment , polarization , refractive index , diamagnetism , paramagnetism). Content of practicals: in accordance with the lectures.
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Fyzikální chemie P. Atkins, J. de Paula, ČVUT Praha 2013.
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Fyzikální chemie -Struktura hmoty P. Pelikán a kol. Vutium Brno 2000.
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Atkins, P. , De Paula , J. Fyzikální chemie. VŠCHtr Praha, 2013.
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Novák, J. Fyzikální chemie- bakalářský kurs. VŠCHT, Praha, 2008.
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