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Oscillator Strengths of Electronic Excitations with Response Theory using Phase Including Natural Orbital Functionals
2013
The key characteristics of electronic excitations of many-electron systems, the excitation energies ωα and the oscillator strengths fα, can be obtained from linear response theory. In one-electron models and within the adiabatic approximation, the zeros of the inverse response matrix, which occur at the excitation energies, can be obtained from a simple diagonalization. Particular cases are the eigenvalue equations of time-dependent density functional theory (TDDFT), time-dependent density matrix functional theory, and the recently developed phase-including natural orbital (PINO) functional theory. In this paper, an expression for the oscillator strengths fα of the electronic excitations is…
Polypyridyl-functionalizated alkynyl gold(i) metallaligands supported by tri- and tetradentate phosphanes
2017
A series of alkynyl gold(I) tri and tetratopic metallaligands of the type [Au3(CuC-R)3(μ3-triphosphane)] (R = 2,2'-bipyridin-5-yl or C10H7N2, 2,2':6',2''-terpyridin-4-yl or C15H10N3; triphosphane = 1,1,1-tris(diphenylphosphanyl) ethane or triphos, 1,3,5-tris(diphenylphosphanyl)benzene or triphosph) and [Au4(CuC-R)4 (μ4-tetraphosphane)] (R = C10H7N2, C15H10N3; tetraphosphane = tetrakis(diphenylphosphanylmethyl)methane or tetraphos, 1,2,3,5-tetrakis(diphenylphosphanyl)benzene or tpbz, tetrakis(diphenylphosphaneylmethyl)-1,2- ethylenediamine or dppeda) were obtained in moderate to good yields. All complexes could be prepared by a Q4 reaction between the alkynyl gold(I) polymeric species [Au(Cu…
Merleau-Pontyn Descartes-tulkinta : kartesiolaisesta duaalisuudesta uuteen ontologiseen rakenteeseen
2019
Englanninkielisen lectio praecursorian pohjalta suomennetussa artikkelissa johdatellaan väitöskirjan peruskysymykseen yleistajuisesti ja esittelevästi. Maurice Merleau-Pontyn (1908–1961) tulkinta René Descartesin (1596–1650) filosofiasta on omaperäinen erityisesti siksi, että hän ei pyri vain muodostamaan historiallisesti korrektia käsitystä Descartesin teoksista vaan hänen tavoitteensa on ennenkaikkea näyttää mikä Descartesin muodostamissa filosofisissa kysymyksissä ja rakenteissa vaikuttaa yhä nykyfilosofiassa. Merleau-Pontyn kriittisyys suhteessa Descartesiin ei ole vain irtiotto vaan myös uudelleenajattelua. Immateriaalisen ja materiaalisen substanssin välisen erottelun sijaan keskiöön …