Occupation Numbers Christian Schilling ETH Zürich in collaboration with MChristandl DEbler DGross Phys Rev Lett 110 040404 2013 Outline Motivation ID: 778826
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Slide1
Pinning of Fermionic Occupation Numbers
Christian SchillingETH Zürich
in collaboration with M.Christandl, D.Ebler, D.Gross
Phys. Rev. Lett. 110, 040404 (2013)
Slide2OutlineMotivation
Generalized Pauli ConstraintsApplication to Physics
Pinning AnalysisPhysical Relevance of Pinning
Slide31) MotivationPauli’s
exclusion principle (1925):`no two identical fermions
inthe same quantum state’mathematically:relevant when
Aufbau
principle for atoms
(quasi-)
pinned
by
(quasi-)
pinned
by
Slide4`quantum states of identical fermions are antisymmetric’strengthened by Dirac & Heisenberg in (1926):
implications for occupation numbers ?
further constraints beyond but only relevant if (quasi-) pinned (?)
Slide5mathematical objects ?N-fermion states1-particle reduced density operator
natural occupationnumbers
partial trace
translate antisymmetry of to
1-particle picture
Slide6Q: Which 1-RDO
are possible?
2) Generalized Pauli Constraints
(Fermionic
Quantum Marginal Problem)
d
escribe
this
set
unitary
equivalence
:
only
natural
occupation
numbers
relevant
A
:
Slide70
1
1Pauli exclusion principle
[
A.Klyachko
., CMP 282, p287-322, 2008]
[
A.Klyachko
,
J.Phys
36, p72-86, 2006]
Polytope
Slide8polytope
i
ntersection
of
f
initely
many
half
spaces
=
f
acet
:
h
alf
space
:
Slide9Example: N = 3 & d= 6[Borland&Dennis, J.Phys. B, 5,1, 1972][
Ruskai, Phys. Rev. A, 40,45, 2007]
Slide10Position of relevant
states(e.g. ground
state) ?or here ? (pinning
)
here
?
point
on
boundary
:
kinematical
constraints
generalization
of
:
decay
impossible
0
1
1
3
)
Application
to
Physics
N non-interacting fermions:
effectively
1-particle problem with solution
with
N-
particle
picture
:
1
-particle
picture
:
( )
( )
Slide12Pauli
exclusion
principle
constraints
exactly
pinned
!
0
1
1
Slater
determinants
Slide13requirements for non-trivial model?N identical fermions with coupling parameter
analytical solvable:
d
epending
on
Slide14Hamiltonian:
diagonalization
of
l
ength
scales
:
Slide15Now: Fermions
restrict to
ground state: [Z.Wang et al., arXiv 1108.1607, 2011]
i
f non-interacting
Slide16properties of : depends
only on i.e. on
non-trivial duality
weak-interacting
f
rom
now
on :
Slide17`Boltzmann distribution law’:
h
ierarchy
:
Thanks
to
Jürg Fröhlich
Slide18too
difficult/ not known yetinstead: check w.r.t
4) Pinning Analysis
Slide19r
elevant
as
long
as
l
ower
bound
on
p
inning
order
Slide20relevant as long as
q
uasi-pinning
Slide21moreover :larger ?
- quasi-
pinningposter by Daniel Ebler
excitations ?first few
still quasi-pinnedweaker with
increasing
excitation
q
uasi-
pinning
a
ground
state
effect
!?
quasi-
pinnig
only
for weak interaction ?No!:
Slide22saturated by :Implication for corresponding ?
5
) Physical Relevance of
Pinning
Physical Relevance of
Pinning
?
Slide23generalization of:
stable:
Slide24Slide25Selection
Rule:
Slide26Example:
Pinning of
dimension
Slide27Application: Improvement of Hartree-Fockapproximate unknown ground state
Hartree
-Fock
much
better:
Slide28Conclusionsantisymmetry of translated to 1-particle picture
Generalized
Pauli constraintsstudy of fermion – model with
coupling
Pauli
constraints
pinned
up
to
corrections
Generalized
Pauli
constraints
pinned
up
to
corrections
i
mprove Hartree-Focke.g.
Pinning is physically relevantFermionic Ground States simpler than appreciated (?)
Slide29OutlookHubbard modelQuantum Chemistry: Atoms
Physical & mathematical Intuition for Pinning
HOMO-
LUMO-
gap
Strongly
correlated
Fermions
Antisymmetry
Energy
Minimization
g
eneric
for
:
Slide30Thank you!