The evolution of Bose-Einstein condensates is amply described by the time-dependent Gross-Pitaevskii mean-field theory which assumes all bosons to reside in a single time-dependent one-particle state throughout the propagation process. In this work, we go beyond mean field and develop an essentially exact many-body theory for the propagation of the time-dependent Schrödinger equation of $N$ interacting identical bosons. In our theory, the time-dependent many-boson wave function is written as a sum of permanents assembled from orthogonal one-particle functions, or orbitals, where both the expansion coefficients and the permanents (orbitals) themselves are time-dependent and fully determined according to a standard time-dependent variational principle. By employing either the usual Lagrangian formulation or the Dirac-Frenkel variational principle we arrive at two sets of coupled equations of motion, one for the orbitals and one for the expansion coefficients. The first set comprises of first-order differential equations in time and nonlinear integrodifferential equations in position space, whereas the second set consists of first-order differential equations with time-dependent coefficients. We call our theory multiconfigurational time-dependent Hartree for bosons, or $\text{MCTDHB}\left(M\right)$, where $M$ specifies the number of time-dependent orbitals used to construct the permanents. Numerical implementation of the theory is reported and illustrative numerical examples of many-body dynamics of trapped Bose-Einstein condensates are provided and discussed. The convergence of the method with a growing number $M$ of orbitals is demonstrated in a specific example of four interacting bosons in a double well.

For three-dimensional many-electron time periodic Hamiltonians which are invariant under dynamical symmetry of order $N$ we prove that only the $(\mathrm{nN}\pm 1)\mathrm{th}$, $n=1,2,\dots ,$ harmonics are generated. We discuss the application of the dynamical symmetry based selection rules to the generation of high harmonics by thin crystals. The derived selection rules are demonstrated numerically for a one-dimensional model, showing that the dynamically symmetric systems can be used not only as “filters” of the very high harmonics but also as their “amplifiers.”

An essentially exact approach to compute the wave function in the time-dependent many-boson Schrödinger equation is derived and employed to study accurately the process of splitting a trapped condensate. As the trap transforms from a single to double well the ground state changes from a coherent to a fragmented state. We follow the role played by many-body excited states during the splitting process. Among others, a “counterintuitive” regime is found in which the evolution of the condensate when the splitting is sufficiently slow is not to the fragmented ground state, but to a low-lying excited state which is a coherent state. Experimental implications are discussed.

The quantum dynamics of a one-dimensional bosonic Josephson junction is studied by solving the time-dependent many-boson Schrödinger equation numerically exactly. Already for weak interparticle interactions and on short time scales, the commonly employed mean-field and many-body methods are found to deviate substantially from the exact dynamics. The system exhibits rich many-body dynamics such as enhanced tunneling and a novel equilibration phenomenon of the junction depending on the interaction, which is attributed to a quick loss of coherence.

In this Colloquium, the wave-function-based multiconfigurational time-dependent Hartree approaches to the dynamics of indistinguishable particles (MCTDH-F for fermions and MCTDH-B for bosons) are reviewed. MCTDH-B and MCTDH-F or, together, MCTDH-X are methods for describing correlated quantum systems of identical particles by solving the time-dependent Schrödinger equation from first principles. MCTDH-X is used to accurately model the dynamics of real-world quantum many-body systems in atomic, molecular, and optical physics. The key feature of these approaches is the time dependence and optimization of the single-particle states employed for the construction of a many-body basis set, which yields nonlinear working equations. The historical developments that have led to the formulation of the MCTDH-X method and motivate the necessity for wave-function-based approaches are briefly described. The derivation of the unified MCTDH-F and MCTDH-B equations of motion for complete and also specific restricted configuration spaces are sketched. The strengths and limitations of the MCTDH-X approach are assessed via benchmarks against an exactly solvable model and via convergence checks. Applications to some instructive and experimentally realized quantum many-body systems are highlighted: the dynamics of atoms in Bose-Einstein condensates in magneto-optical and optical traps and of electrons in atoms and molecules. The current development and frontiers in the field of MCTDH-X are discussed: theories and numerical methods for indistinguishable particles, for mixtures of multiple species of indistinguishable particles, the inclusion of nuclear motion for the nonadiabatic dynamics of atomic and molecular systems, as well as the multilayer and second-quantized-representation approaches, and the orbital-adaptive time-dependent coupled-cluster theory.

The first- and second-order correlation functions of trapped interacting Bose-Einstein condensates are investigated numerically on a many-body level from first principles. Correlations in real space and momentum space are treated. The coherence properties are analyzed. The results are obtained by solving the many-body Schrödinger equation. It is shown in an example how many-body effects can be induced by the trap geometry. A generic fragmentation scenario of a condensate is considered. The correlation functions are discussed along a pathway from a single condensate to a fragmented condensate. It is shown that strong correlations can arise from the geometry of the trap, even at weak interaction strengths. The natural orbitals and natural geminals of the system are obtained and discussed. It is shown how the fragmentation of the condensate can be understood in terms of its natural geminals. The many-body results are compared to those of mean-field theory. The best solution within mean-field theory is obtained. The limits in which mean-field theories are valid are determined. In these limits the behavior of the correlation functions is explained within an analytical model.