192
Compulsory

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Solutions to the quantum-mechanical Schroedinger equation for N electrons
in the Born-Oppenheimer approximation are complex, time-dependent functions
on a 3N-dimensional space. For large N even the storage of a good approximation
to such functions on a computer is hardly possible, much less their determination
as solutions of the Schroedinger problem -- unless they have particular
N-dependent smoothness properties that come to our rescue.

Harry Yserentant (TU-Berlin) rigorously investigated the regularity of
eigenfunctions of the N-electron problem and found that such a rescue might, in
fact, be in reach. He documented the results of his studies in detail in [1,2,3].
In this course, we will retrace the steps of this analysis by considering, amongst others, the following questions:
- How can we characterize the "smoothness" of a function systematically?
- How does the computer storage needed to approximate a function with a given accuracy depend on its smoothness?
- What is the smoothness of a 3N-dimensional function if it can be represented
by a superposition of Slater-determinants (essentially antisymmetric products)
of 3-dimensional once-differentiable functions?
- What is the role of the Pauli-exclusion principle for electrons in this context?

and finally

- What does all this have to do with solutions to the electronic many-electron
Schroedinger problem?

Harry Yserentant builds the theory in [1] from bottom up, so that the course
should be accessible to students of mathematics as well as to theoretically inclined students of the natural sciences alike.

Solutions to the quantum-mechanical Schroedinger equation for N electrons
in the Born-Oppenheimer approximation are complex, time-dependent functions
on a 3N-dimensional space. For large N even the storage of a good approximation
to such functions on a computer is hardly possible, much less their determination
as solutions of the Schroedinger problem -- unless they have particular
N-dependent smoothness properties that come to our rescue.

Harry Yserentant (TU-Berlin) rigorously investigated the regularity of
eigenfunctions of the N-electron problem and found that such a rescue might, in
fact, be in reach. He documented the results of his studies in detail in [1,2,3].
In this course, we will retrace the steps of this analysis by considering, amongst others, the following questions:
- How can we characterize the "smoothness" of a function systematically?
- How does the computer storage needed to approximate a function with a given accuracy depend on its smoothness?
- What is the smoothness of a 3N-dimensional function if it can be represented
by a superposition of Slater-determinants (essentially antisymmetric products)
of 3-dimensional once-differentiable functions?
- What is the role of the Pauli-exclusion principle for electrons in this context?

and finally

- What does all this have to do with solutions to the electronic many-electron
Schroedinger problem?

Harry Yserentant builds the theory in [1] from bottom up, so that the course
should be accessible to students of mathematics as well as to theoretically inclined students of the natural sciences alike.

Cross-language

192 063
Compulsory

Expectant Mother

Not dangerous
Partly dangerous
Alternative Course
Dangerous

Nursing Mother

Not dangerous
Partly dangerous
Alternative Course
Dangerous

AncillaryCourses

Regularity and Approximability of Electronic Wave Functions

Expectant Mother

Not dangerous
Partly dangerous
Alternative Course
Dangerous

Nursing Mother

Not dangerous
Partly dangerous
Alternative Course
Dangerous