Results 31 to 40 of about 370,786 (279)
Bonding situations in tricoordinated beryllium phenyl complexes
Journal of Computational Chemistry, Volume 44, Issue 3, Page 397-405, January 30, 2023., 2023 The bonding situation in tricoordinated beryllium phenyl complexes was evaluated. In all compounds π‐delocalisation was present in all compounds even though the beryllium‐element bonds are highly polarized. This delocalisation accounts for the rather small contribution of π‐interactions to the overall orbital energies of these compounds.
Lewis R. Thomas‐Hargreaves +4 more
wiley +1 more source
Functional renormalization group approach to the sine-Gordon model [PDF]
Phys.Rev.Lett.102:241603,2009, 2009 The renormalization group flow is presented for the two-dimensional sine-Gordon model within the framework of the functional renormalization group method by including the wave-function renormalization constant. The Kosterlitz-Thouless-Berezinski type phase structure is recovered as the interpolating scaling law between two competing IR attractive area ...
arxiv +1 more source
Redox‐active ligands as a challenge for electronic structure methods
Journal of Computational Chemistry, Volume 44, Issue 3, Page 468-479, January 30, 2023., 2023 The 3d transition metal complexes with redox‐active ligands are highly attractive for catalysis, but a challenge for first‐principles electronic structure methods such as density functional theory (DFT). The ligands’ redox‐activity can lead to the self‐consistent field algorithm converging to high‐energy solutions.
Ursula Rastetter +2 more
wiley +1 more source
Renormalization Group in Non-Relativistic Quantum Statistics [PDF]
EPJ Web of Conferences, 2020 Dynamic behaviour of a boson gas near the condensation transition in the symmetric phase is analyzed with the use of an effective large-scale model derived from time-dependent Green functions at finite temperature.
Honkonen Juha +4 more
doaj +1 more source
Gutzwiller renormalization group
Physical Review B, 2016 5 pages, 3 ...
Lanatà, Nicola +5 more
openaire +5 more sources
Renormalization: general theory [PDF]
arXiv, 2023 We review the theory of renormalization, including perturbative renormalization, regularized functional integrals, Renormalization Group and rigorous renormalization.
arxiv
Differential Renormalization, the Action Principle and Renormalization Group Calculations [PDF]
Z.Phys. C67 (1995) 531-541, 1994 General prescriptions of differential renormalization are presented. It is shown that renormalization group functions are straightforwardly expressed through some constants that naturally arise within this approach. The status of the action principle in the framework of differential renormalization is discussed.
arxiv +1 more source
Oxygen Defect Formation Thermodynamics of CaMnO3: A Closer Look
physica status solidi (b), Volume 260, Issue 1, January 2023., 2023 The aim of this work is to find an optimal theoretical approach to compute the defect formation thermochemistry of CaMnO3. The hybrid functional PW1PW combined with CRYSTAL/PBE thermodynamic corrections is able to compute the defect formation enthalpy of CaMnO3 with an absolute deviation of −10.8 kJ mol−1 and can be recommended for use in computing ...
Benjamin Grimm, Thomas Bredow
wiley +1 more source
Critical phenomena and functional renormalization group
He jishu, 2023 Recent progress in studies on quantum chromodynamics (QCD) phase transition and related critical phenomena within the functional renormalization group (fRG) approach were reviewed, including the nonperturbative critical exponents and baryon number ...
YIN Shi, TAN Yangyang, FU Weijie
doaj +1 more source
Wave Functionals, Hamiltonians and Renormalization Group [PDF]
Int.J.Mod.Phys. A11 (1996) 2749-2764, 1994 We analyze the renormalization of wave functionals and energy eigenvalues in field theory. A discussion of the structure of the renormalization group equation for a general Hamiltonian system is also given.
arxiv +1 more source