Sökning: "theoretical extension"

Visar resultat 1 - 5 av 193 avhandlingar innehållade orden theoretical extension.

  1. 1. Theoretical and numerical bimetric relativity

    Författare :Francesco Torsello; Edvard Mörtsell; Eugeny Babichev; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; spin-2 fields; extension of general relativity; ghost-free bimetric theory; Hassan–Rosen bimetric relativity; numerical relativity; teoretisk fysik; Theoretical Physics;

    Sammanfattning : General relativity (GR) is the standard physical theory describing gravitational interactions. All astrophysical and cosmological observations are compatible with its predictions, provided that unknown matter and energy components are included. These are called dark matter and dark energy. LÄS MER

  3. 2. Extending the Reach of Accurate Wavefunction Methods

    Författare :Mickaël G. Delcey; Roland Lindh; Per-Åke Malmqvist; Martin Schütz; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Density fitting; CASSCF; Analytical gradients; Photochemistry; X-ray spectroscopy; Kemi med inriktning mot kvantkemi; Chemistry with specialization in Quantum Chemistry;

    Sammanfattning : Multiconfigurational quantum chemistry methods, and especially the multiconfigurational self-consistent field (MCSCF) and multireference perturbation theory (MRPT2), are powerful tools, particularly suited to the accurate modeling of photochemical processes and transition metal catalysis. However, they are limited by their high computational cost compared to other methods, especially density functional theory. LÄS MER

  4. 3. For a Fistful of Qubits: Computational Quantum Chemistry on Near-Term Quantum Computers

    Författare :Mårten Skogh; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; nonadiabatic processes; quantum error mitigation; variational quantum algorithms; quantum computation; computational chemistry;

    Sammanfattning : Quantum computing has been touted as a great new frontier of computation, pushing the limits of what we consider within reach of computation. While not all problems are expected to be efficiently solved by a quantum computer, quantum chemistry is among those where many have speculated on near-term quantum advantage. LÄS MER

  5. 4. Nonlinear Optical Properties of Fullerenes, Oligomers, and Solutions

    Författare :Patrick Norman; Hans Ågren; David M. Bishop; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This work presents development and applications of modern tools in ab initio quantum chemistry for obtaining linear and nonlinear response properties of molecules in the gas phase and in solution. The external perturbing fields are primarily electric in nature with frequencies in the optical region. LÄS MER

  7. 5. Structural dynamics of ribulose-1,5-bisphosphate carboxylase/oxygenase

    Författare :Michiel Van Lun; Sveriges lantbruksuniversitet; Sveriges lantbruksuniversitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) assimilates carbon dioxide (CO2) from air into biomass. Due to its slow turnover, the reaction is a rate-limiting step in photosynthetic carbon fixation. LÄS MER