@misc{FladHarutyunyanSchulze2015,
  author    = {Flad, Heinz-J{\"u}rgen and Harutyunyan, Gohar and Schulze, Bert-Wolfgang},
  title     = {Singular analysis and coupled cluster theory},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-102306},
  pages     = {31530 -- 31541},
  year      = {2015},
  abstract  = {The primary motivation for systematic bases in first principles electronic structure simulations is to derive physical and chemical properties of molecules and solids with predetermined accuracy. This requires a detailed understanding of the asymptotic behaviour of many-particle Coulomb systems near coalescence points of particles. Singular analysis provides a convenient framework to study the asymptotic behaviour of wavefunctions near these singularities. In the present work, we want to introduce the mathematical framework of singular analysis and discuss a novel asymptotic parametrix construction for Hamiltonians of many-particle Coulomb systems. This corresponds to the construction of an approximate inverse of a Hamiltonian operator with remainder given by a so-called Green operator. The Green operator encodes essential asymptotic information and we present as our main result an explicit asymptotic formula for this operator. First applications to many-particle models in quantum chemistry are presented in order to demonstrate the feasibility of our approach. The focus is on the asymptotic behaviour of ladder diagrams, which provide the dominant contribution to shortrange correlation in coupled cluster theory. Furthermore, we discuss possible consequences of our asymptotic analysis with respect to adaptive wavelet approximation.},
  language  = {en}
}
@article{FladHarutyunyanSchulze2015,
  author    = {Flad, Heinz-J{\"u}rgen and Harutyunyan, Gohar and Schulze, Bert-Wolfgang},
  title     = {Singular analysis and coupled cluster theory},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {17},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {47},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c5cp01183c},
  pages     = {31530 -- 31541},
  year      = {2015},
  abstract  = {The primary motivation for systematic bases in first principles electronic structure simulations is to derive physical and chemical properties of molecules and solids with predetermined accuracy. This requires a detailed understanding of the asymptotic behaviour of many-particle Coulomb systems near coalescence points of particles. Singular analysis provides a convenient framework to study the asymptotic behaviour of wavefunctions near these singularities. In the present work, we want to introduce the mathematical framework of singular analysis and discuss a novel asymptotic parametrix construction for Hamiltonians of many-particle Coulomb systems. This corresponds to the construction of an approximate inverse of a Hamiltonian operator with remainder given by a so-called Green operator. The Green operator encodes essential asymptotic information and we present as our main result an explicit asymptotic formula for this operator. First applications to many-particle models in quantum chemistry are presented in order to demonstrate the feasibility of our approach. The focus is on the asymptotic behaviour of ladder diagrams, which provide the dominant contribution to short-range correlation in coupled cluster theory. Furthermore, we discuss possible consequences of our asymptotic analysis with respect to adaptive wavelet approximation.},
  language  = {en}
}
@article{LyuQianSchulze2015,
  author    = {Lyu, Xiaojing and Qian, Tao and Schulze, Bert-Wolfgang},
  title     = {Order filtrations of the edge algebra},
  series = {Journal of pseudo-differential operators and applications},
  volume    = {6},
  journal   = {Journal of pseudo-differential operators and applications},
  number    = {3},
  publisher = {Springer},
  address   = {Basel},
  issn      = {1662-9981},
  doi       = {10.1007/s11868-015-0126-8},
  pages     = {279 -- 305},
  year      = {2015},
  abstract  = {By edge algebra we understand a pseudo-differential calculus on a manifold with edge. The operators have a two-component principal symbolic hierarchy which determines operators up to lower order terms. Those belong to a filtration of the corresponding operator spaces. We give a new characterisation of this structure, based on an alternative representation of edge amplitude functions only containing holomorphic edge-degenerate Mellin symbols.},
  language  = {en}
}
@article{ChangQianSchulze2015,
  author    = {Chang, Der-Chen and Qian, Tao and Schulze, Bert-Wolfgang},
  title     = {Corner Boundary Value Problems},
  series = {Complex analysis and operator theory},
  volume    = {9},
  journal   = {Complex analysis and operator theory},
  number    = {5},
  publisher = {Springer},
  address   = {Basel},
  issn      = {1661-8254},
  doi       = {10.1007/s11785-014-0424-9},
  pages     = {1157 -- 1210},
  year      = {2015},
  abstract  = {Boundary value problems on a manifold with smooth boundary are closely related to the edge calculus where the boundary plays the role of an edge. The problem of expressing parametrices of Shapiro-Lopatinskij elliptic boundary value problems for differential operators gives rise to pseudo-differential operators with the transmission property at the boundary. However, there are interesting pseudo-differential operators without the transmission property, for instance, the Dirichlet-to-Neumann operator. In this case the symbols become edge-degenerate under a suitable quantisation, cf. Chang et al. (J Pseudo-Differ Oper Appl 5(2014):69-155, 2014). If the boundary itself has singularities, e.g., conical points or edges, then the symbols are corner-degenerate. In the present paper we study elements of the corresponding corner pseudo-differential calculus.},
  language  = {en}
}
@article{MahmoudiSchulzeTepoyan2015,
  author    = {Mahmoudi, Mahdi Hedayat and Schulze, Bert-Wolfgang and Tepoyan, Liparit},
  title     = {Continuous and variable branching asymptotics},
  series = {Journal of pseudo-differential operators and applications},
  volume    = {6},
  journal   = {Journal of pseudo-differential operators and applications},
  number    = {1},
  publisher = {Springer},
  address   = {Basel},
  issn      = {1662-9981},
  doi       = {10.1007/s11868-015-0110-3},
  pages     = {69 -- 112},
  year      = {2015},
  abstract  = {The regularity of solutions to elliptic equations on a manifold with singularities, say, an edge, can be formulated in terms of asymptotics in the distance variable r > 0 to the singularity. In simplest form such asymptotics turn to a meromorphic behaviour under applying the Mellin transform on the half-axis. Poles, multiplicity, and Laurent coefficients form a system of asymptotic data which depend on the specific operator. Moreover, these data may depend on the variable y along the edge. We then have y-dependent families of meromorphic functions with variable poles, jumping multiplicities and a discontinuous dependence of Laurent coefficients on y. We study here basic phenomena connected with such variable branching asymptotics, formulated in terms of variable continuous asymptotics with a y-wise discrete behaviour.},
  language  = {en}
}