Sökning: "coupled cluster singles and doubles"

Hittade 3 avhandlingar innehållade orden coupled cluster singles and doubles.

  1. 1. Many-Body effects in Semiconductor Nanostructures

    Författare :Carl-Johan Wesslén; Eva Lindroth; Morten Førre; Stockholms universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; coupled cluster; nanostructure; quantum dot; quantum ring; concentric quantum ring; many body pertubation theory; fysik; Physics;

    Sammanfattning : Low dimensional semiconductor structures are modeled using techniques from the field of many-body atomic physics. B-splines are used to create a one-particle basis, used to solve the more complex many-body problems. LÄS MER

  3. 2. On the role of the electron-electron interaction in two-dimensional quantum dots and rings

    Författare :Erik Waltersson; Eva Lindroth; Stephanie Reimann; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum dot; quantum ring; quantum dot molecule; electronic structure; two-dimensional; many-body physics; many-body perturbation theory; coupled cluster; coupled cluster singles and doubles; quantum logical gates; quantum computing; quantum control; quantum control algorithm; Electronic structure; Elektronstruktur; fysik; Physics;

    Sammanfattning : Many-Body Perturbation Theory is put to test as a method for reliable calculations of the electron-electron interaction in two-dimensional quantum dots. We show that second order correlation gives qualitative agreement with experiments on a level which was not found within the Hartree-Fock description. LÄS MER

  4. 3. Charge-transfer excitations and phtophysical properties of molecular building blocks

    Författare :Oscar Rubio Pons; Yi Luo; Antonio Rizzo; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Photophysical porperties; CCSD; CASSCF; Teoretisk kemi; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : This thesis reports a state-of-the-art theoretical study of photophysical properties of organic charge-transfer aromatic molecules. These molecules are building blocks of molecular functional materials used in modern photonics technology and play essential roles in chemistry and biology in general. LÄS MER