33 research outputs found

    Ring coupled-cluster doubles correction to geminal wavefunctions

    Get PDF
    A ring approximation in coupled cluster (CC) theory is worked out at the multi reference (MR) level. The underlying CC framework is based on generalized normal ordering and applies the corresponding generalized Wick-theorem. Contractions among cluster operators is avoided by adopting a normal ordered exponential Ansatz. The MR ring CC doubles (MR rCCD) theory is found to represent a companion to the previously introduced extended random phase approximation (ERPA). Equations for wavefunction parameters are derived in parallel and compared. Condition for the ground state consistent with ERPA is obtained. This paves the way towards comparison with the ERPA based correction to the Antisymmetrized Product of Strongly Orthogonal Geminal (APSG) reference, ERPA-APSG

    A long history of breakdowns: A historiographical review.

    Get PDF
    The introduction to this special issue argues that network breakdowns play an important and unacknowledged role in the shaping and emergence of scientific knowledge. It focuses on transnational scientific networks from the early modern Republic of Letters to 21st-century globalized science. It attempts to unite the disparate historiography of the early modern Republic of Letters, the literature on 20th-century globalization, and the scholarship on Actor-Network Theory. We can perceive two, seemingly contradictory, changes to scientific networks over the past four hundred years. At the level of individuals, networks have become increasing fragile, as developments in communication and transportation technologies, and the emergence of regimes of standardization and instrumentation, have made it easier both to create new constellations of people and materials, and to replace and rearrange them. But at the level of institutions, collaborations have become much more extensive and long-lived, with single projects routinely outlasting even the arc of a full scientific career. In the modern world, the strength of institutions and macro-networks often relies on ideological regimes of standardization and instrumentation that can flexibly replace elements and individuals at will

    The Bethe-Salpeter QED wave equation for bound-state computations of atoms and molecules

    Full text link
    Interactions in atomic and molecular systems are dominated by electromagnetic forces and the theoretical framework must be in the quantum regime. The physical theory for the combination of quantum mechanics and electromagnetism, quantum electrodynamics has been established by the mid-twentieth century, primarily as a scattering theory. To describe atoms and molecules, it is important to consider bound states. In the non-relativistic quantum mechanics framework, bound states can be efficiently computed using robust and general methodologies with systematic approximations developed for solving wave equations. With the sight of the development of a computational quantum electrodynamics framework for atomic and molecular matter, the field theoretic Bethe-Salpeter wave equation expressed in space-time coordinates, its exact equal-time variant and emergence of a relativistic wave equation is reviewed. A computational framework, with initial applications and future challenges in relation with precision spectroscopy, is also highlighted

    The \gamma function in quantum theory II. Mathematical challenges and paradoxa

    Get PDF
    While the square root of Dirac’s [Formula: see text] is not defined in any standard mathematical formalism, postulating its existence with some further assumptions defines a generalized function called [Formula: see text] which permits a quasi-classical treatment of simple systems like the H atom or the 1D harmonic oscillator for which accurate quantum mechanical energies were previously reported. The so-defined [Formula: see text] is neither a traditional function nor a distribution, and it remains to be seen that any consistent mathematical approaches can be set up to deal with it rigorously. A straightforward use of [Formula: see text] generates several paradoxical situations which are collected here. The help of the scientific community is sought to resolve these paradoxa

    Kultusz, identitás, imázs - A kultuszok társadalmi működőképességének elméleti és történelmi aspektusai = Cult, identity, image - Theoretical and historical aspects of social operativity of (literary) cults

    Get PDF
    A projekt fő célkitűzése többrétű volt: egyrészt az 1980-90-es évek fordulóján elindult irodalmi kultuszkutatás felelevenítése, másrészt újabb, fiatal kutatók bevonása a munkába, harmadrészt a kutatások elméleti alapjainak megerősítése révén az interdiszciplináris kapcsolatok erősítése és a kultuszkutatás beillesztése az ezredforduló irodalom- és társadalomtudományos látképébe. A futamidő alatt számos igen sikeresnek mondható konferencia segítette e cél megvalósulását, több disszertáció és szakdolgozat született a témában, és a kutatócsoporthoz nem tartozó tudósok széles köre csatlakozott a munkához (ennek dokumentuma a kultuszkutatás készülő bibliográfiája is). A kultuszkutatás immár nemcsak irodalom-, hanem társadalom-, politika-, vagy művészettörténeti szempontból is érvényes megközelítésmódnak számít. A futamidő alatt több népszerűvé vált kötetet is megjelentettünk, és további három kötet anyaga vár (egyelőre forrás hiányában) kiadásra. | The aim of our project was many-sided: first, to revive the studies of literary cult begun at the turn of the decade of the 1990s; secondly, to initiate new, young researchers in the project; thirdly, to reinforce interdisciplinary connections by means of strengthening theoretical base of cult research and to incorporate cult studies in the social sciences and literary research of the millennium. During the duration of our project these aims were realized through a number of succesful conferences, several PhD- and Masters of Arts degree were completed on this subject, and many scholars joined to the project from outside the research group (as it is documented in the bibliography of cult research in preparation). Cult research is considered already as a valid approach not only from a literature historical point of view, it?s also important as a social-, political or art-historical access. During the term of the project the research group published several books which became quite popular, and there are also three more books waiting (because of lack of financial source, temporarily) to be published

    Multireferencia elektronkorrelációs módszerek formális és numerikus összevetése

    No full text
    corecore