A Puzzle for the Field Ontologists
Sign Up to like & getrecommendations! Published in 2020 at "Foundations of Physics"
DOI: 10.1007/s10701-020-00390-0
Abstract: It has been widely thought that the wave function describes a real, physical field in a realist interpretation of quantum mechanics. In this paper, I present a new analysis of the field ontology for the… read more here.
Keywords: ontology; field; wave function; puzzle field ... See more keywords
Closed extended r-spin theory and the Gelfand–Dickey wave function
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Geometry and Physics"
DOI: 10.1016/j.geomphys.2018.11.007
Abstract: We study a generalization of genus-zero $r$-spin theory in which exactly one insertion has a negative-one twist, which we refer to as the "closed extended" theory, and which is closely related to the open $r$-spin… read more here.
Keywords: closed extended; wave function; theory; spin theory ... See more keywords
The Hurwitz-type theorem for the regular Coulomb wave function via Hankel determinants
Sign Up to like & getrecommendations! Published in 2017 at "Linear Algebra and its Applications"
DOI: 10.1016/j.laa.2018.03.012
Abstract: Abstract We derive a closed formula for the determinant of the Hankel matrix whose entries are given by sums of negative powers of the zeros of the regular Coulomb wave function. This new identity applied… read more here.
Keywords: regular coulomb; wave function; coulomb wave; hankel ... See more keywords
Resonance Raman Spectroscopy and Density Functional Theory Calculations on Ferrous Porphyrin Dioxygen Adducts with Different Axial Ligands: Correlation of Ground State Wave Function and Geometric Parameters with Experimental Vibrational Frequencies.
Sign Up to like & getrecommendations! Published in 2019 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.9b00656
Abstract: A dioxygen adduct of ferrous porphyrin is an important chemical species in nature as it is a common intermediate in all oxygen transfer, storage, reducing, and activating heme enzymes. The ground state (GS) wave function… read more here.
Keywords: ferrous porphyrin; wave function; spectroscopy; theory ... See more keywords
Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c01228
Abstract: Using a set of oscillator strengths and excited-state dipole moments of near full configuration interaction quality determined for small compounds, we benchmark the performances of several single-reference wave function methods [CC2, CCSD, CC3, CCSDT, ADC(2),… read more here.
Keywords: state; dipole moments; excited state; oscillator strengths ... See more keywords
Wave Function Adapted Hamiltonians for Quantum Computing.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01170
Abstract: The use of the variational quantum eigensolver (VQE) for quantum chemistry is one of the most promising applications for noisy intermediate-scale quantum (NISQ) devices. A major limitation is represented by the need to build compact… read more here.
Keywords: function adapted; circuit; wave function; adapted hamiltonians ... See more keywords
Factorized Electron-Nuclear Dynamics with an Effective Complex Potential.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c01019
Abstract: We present a quantum dynamics approach for molecular systems based on wave function factorization into components describing the light and heavy particles, such as electrons and nuclei. The dynamics of the nuclear subsystem can be… read more here.
Keywords: factorized electron; function; wave function; potential ... See more keywords
Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b01154
Abstract: We present a level shift projection operator-based embedding method for systems with periodic boundary conditions-where the "active" subsystem can be described using either density functional theory (DFT) or correlated wave function (WF) methods and the… read more here.
Keywords: density functional; theory; wave function; projection ... See more keywords
Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave Function.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00613
Abstract: The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry makes it practical to evaluate static correlation in a large active space, while dynamic correlation provides a critical correction to… read more here.
Keywords: dmrg reference; multireference; active space; wave function ... See more keywords
Episodic memory: Mental time travel or a quantum "memory wave" function?
Sign Up to like & getrecommendations! Published in 2021 at "Psychological review"
DOI: 10.1037/rev0000283
Abstract: Where do we "go" when we recollect our past? When remembering a past event, it is intuitive to imagine some part of ourselves mentally "jumping back in time" to when the event occurred. I propose… read more here.
Keywords: memory; wave function; time; memory mental ... See more keywords
N-representability of the Jastrow wave function pair density of the lowest-order
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/s41598-017-07454-8
Abstract: Conditions for the N-representability of the pair density (PD) are needed for the development of the PD functional theory. We derive sufficient conditions for the N-representability of the PD that is calculated from the Jastrow… read more here.
Keywords: lowest order; wave function; jastrow wave; pair density ... See more keywords