Found 40 Documents (Results 1–40)
Coupled-cluster theory revisited. II: Analysis of the single-reference coupled-cluster equations. (English) Zbl 1515.81231
High order linearly implicit methods for evolution equations. (English) Zbl 1503.65260
Reviewer: José Augusto Ferreira (Coimbra)
Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations. (English) Zbl 1492.65008
Nontensorial generalised Hermite spectral methods for PDEs with fractional Laplacian and Schrödinger operators. (English) Zbl 1486.65209
Numerical solution of large scale Hartree-Fock-Bogoliubov equations. (English) Zbl 1520.65077
Reviewer: Zhiming Chen (Beijing)
Eigenfunction behavior and adaptive finite element approximations of nonlinear eigenvalue problems in quantum physics. (English) Zbl 1476.35250
Nonlinear geometric optics based multiscale stochastic Galerkin methods for highly oscillatory transport equations with random inputs. (English) Zbl 1471.65137
Reviewer: Alain Brillard (Riedisheim)
Convergence of exponential Lawson-multistep methods for the MCTDHF equations. (English) Zbl 1431.65148
Uniformly accurate time-splitting methods for the semiclassical linear Schrödinger equation. (English) Zbl 1431.35166
Reviewer: Eugene Postnikov (Kursk)
Uniform in time error analysis of HDG approximation for Schrödinger equation based on HDG projection. (English) Zbl 1416.65365
A uniformly accurate (UA) multiscale time integrator pseudospectral method for the nonlinear Dirac equation in the nonrelativistic limit regime. (English) Zbl 1404.35377
Discretization error cancellation in electronic structure calculation: toward a quantitative study. (English) Zbl 1382.82003
Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations. (English) Zbl 1330.65170
Reviewer: Jiguang Sun (Dover)
A numerical perspective on Hartree-Fock-Bogoliubov theory. (English) Zbl 1301.82069
Reviewer: Shuji Watanabe (Maebashi)
The continuous coupled cluster formulation for the electronic Schrödinger equation. (English) Zbl 1269.82032
Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models. (English) Zbl 1278.82003
Reviewer: Piotr Garbaczewski (Opole)
Theory and numerical approximations for a nonlinear 1 + 1 Dirac system. (English) Zbl 1274.65232
Reviewer: Vasilis Dimitriou (Chania)
Numerical aspects of the nonlinear Schrödinger equation in the semiclassical limit in a supercritical regime. (English) Zbl 1269.65104
The mixed regularity of electronic wave functions multiplied by explicit correlation factors. (English) Zbl 1311.35243
On a probabilistic interpretation of shape derivatives of Dirichlet groundstates with application to fermion nodes. (English) Zbl 1209.65010
Reviewer: Cyril Fischer (Praha)
An error analysis of the multi-configuration time-dependent Hartree method of quantum dynamics. (English) Zbl 1192.81125
An analysis of the effect of ghost force oscillation on quasicontinuum error. (English) Zbl 1165.81414
Multiscaled materials modelling: case studies at the atomistic and electronic structure levels. (English) Zbl 1138.82312
Atomistic to continuum limits for computational materials science. (English) Zbl 1144.82018
Reviewer: Agneta Balint (Timişoara)
Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics. (English) Zbl 1135.81380
Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges. (English) Zbl 1135.81381
Best \(N\)-term approximation in electronic structure calculations. II: Jastrow factors. (English) Zbl 1135.81029
First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules. (English) Zbl 1135.81378
Sparse grids for the Schrödinger equation. (English) Zbl 1145.65096
Reviewer: Ziwen Jiang (Shandong)
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