Search for dissertations about: "van der Waals forces"

Showing result 1 - 5 of 31 swedish dissertations containing the words van der Waals forces.

  1. 1. First-principles calculations of long-range intermolecular dispersion forces

    University dissertation from Institutionen för fysik, kemi och biologi

    Author : Auayporn Jiemchooroj; Linköpings universitet.; Linköpings universitet.; [2006]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; van der Waals forces; dispersion forces; intermolecular interactions; dispersion coefficients; polarizability; NATURAL SCIENCES Physics; NATURVETENSKAP Fysik;

    Abstract : This work presents first-principles calculations of long-range intermolecular dispersion energies between two atoms or molecules as expressed in terms of the C6 dipole-dipole dispersion coefficients. In a series of publications, it has been shown by us that the complex linear polarization propagator method provides accurate ab initio and first-principles density functional theory values of the C6 dispersion coefficients in comparison with those reported in the literature. READ MORE

  2. 2. Long-range intermolecular dispersion forces and circular dichroism spectra from first-principles calculations

    University dissertation from Institutionen för fysik, kemi och biologi

    Author : Auayporn Jiemchooroj; Linköpings universitet.; Linköpings universitet.; [2007]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; van der Waals forces; dispersion forces; dispersion coefficients; polarizability; electronic circular dichroism; NATURAL SCIENCES Physics; NATURVETENSKAP Fysik;

    Abstract : This work presents first-principles calculations of long-range intermolecular dispersion energies between two atoms or molecules and of electronic circular dichroism spectra of chiral molecules. The former is expressed in terms of the C6 dipole-dipole dispersion coefficients Δε, and the latter is given in terms of the extinction coefficient. READ MORE

  3. 3. Theory of van der Waals bonding: from bulk materials to biomolecules

    University dissertation from Institutionen för fysik, kemi och biologi

    Author : Elisa Londero; [2012]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; alkanes; extended systems; DNA; band structure; van der Waals Density Functional vdW-DF ; exchange functionals; Density Functional Theory; non-local correlation; layered oxides;

    Abstract : Sparse matter is abundant in Nature.It encompasses systems characterized by an intrinsic low density of electrons in sizeable regions, where the van der Waals forces contribute considerably to cohesion.Given the length scale of the problem, a prediction of these materials requires appropriate tools within a quantum-mechanical framework. READ MORE

  4. 4. Bound by long-range interactions: Molecular crystals and benzene on Cu(111)

    University dissertation from Institutionen för fysik, kemi och biologi

    Author : Kristian Berland; [2009]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; DFT; diffusion barriers; sparse matter; platonic hydrocarbons; molecular crystals; van der Waals density functional vdW-DF ; van der Waals forces; London-dispersion forces; self-assembly; hexamine; molecular overlayers; electronic structure; Friedel oscillations; soft matter; surface-mediated interactions; physiosorption;

    Abstract : This thesis investigates molecular systems bound by long-range interactions. Westudy molecular crystals held together by van der Waals forces and the physisorption of benzene (Bz) on Cu(111). READ MORE

  5. 5. A study of finite-size and non-perturbative effects on the van der Waals and the Casimir-Polder forces

    University dissertation from Stockholm : KTH Royal Institute of Technology

    Author : Thiyam Priyadarshini; KTH.; [2016]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; finite-size effects; non-perturbative theory; van der Waals and Casimir Polder forces; Materials Science and Engineering; Teknisk materialvetenskap;

    Abstract : This licentiate thesis addresses two important aspects of the van der Waals and the Casimir-Polder ground-state and excited-state (resonance) interactions between two atoms or molecules. The first is the finite-size effect and the second is the non-perturbative effect. READ MORE