A
generalization of the Plücker relations
P. Cassam-Chenaï- Linear and
Multilinear Algebra 31,
p.77-79, (1992)
Sur les
fonctions de Hartree-Fock sans contrainte
P. Cassam-Chenaï , G.S.
Chandler - Comptes-rendus de l'académie des
sciences série II, 314,
p.755-757, (1992)
Spin-Unrestricted
Calculations
in
Quantum
Chemistry
P. Cassam-Chenaï
, G.S. Chandler - International Journal of Quantum Chemistry
, (1993)
Induced
mapping in the n-electron space and a transformation of valence-bond
structures to molecular-orbital functions
P. Cassam-Chenaï
, Y. Ellinger, G. Berthier - PHYSICAL REVIEW-SERIES A-, (1993)
Variational
spaces of electronic calculations in quantum chemistry
P. Cassam-Chenaï - Journal of
Mathematical
Chemistry, (1994)
Is
Stripping
of
Polycyclic
Aromatic
Hydrocarbons
a
Route
to
Molecular
Hydrogen?
P. Cassam-Chenaï, F. Pauzat, Y. Ellinger - AIP CONFERENCE
PROCEEDINGS, 312, 543 (1994)
Electronic
and vibronic dipole moments
of CH2D+
P. Cassam-Chenaï,
F. Pauzat, Y. Ellinger, Journal of Molecular Structure (Theochem), 330, p.167-175, (1995)
Quelques
exemples d'application des outils de l'algèbre extérieure
à
la chimie quantique
P Cassam-Chenaï, Folia Chimica
Theoretica Latina, XXIII, p.9,
(1995)
Ensemble
Representable
Densities
for
Atoms
and
Molecules.
I.
General
Theory
P. Cassam-Chenaï - International Journal of Quantum Chemistry,
(1995)
The real
generators of the unitary group
P. Cassam-Chenaï
-
TOPICS IN MOLECULAR ORGANIZATION AND ENGINEERING, (1996) - KLUWER
ACADEMIC
PUBLISHERS
Ensemble-representable
densities
for
atoms
and
molecules.
II.
Application
to
CoCl4 2-
P. Cassam-Chenaï, S.K. Wolff, G.S. Chandler, B.N. Figgis -
International
Journal of Quantum Chemistry, (1996)
A
mathematical definition of molecular structure–open
problem
P. Cassam‐Chenaï - Journal
of Mathematical Chemistry, (1998) - Springer
A
chemical application of the algebraic concept of internal space
G. Granucci, P. Cassam-Chenaï
, Y. Ellinger - The Journal of Chemical Physics, (1998)
Symmetrizing
Broken
Symmetry
Wave
Functions
in
Quantum
Chemistry
P. Cassam-Chenaï
- International Journal of Quantum Chemistry, (1998)
Gaussian
Functions
Optimised
for
Molecules
P. Cassam-Chenaï, D.
Jayatilaka, G.S. Chandler - Journal de Chimie Physique, 95, p.2241-2266, (1998)
A
new
ab
intio
method
for
the
calculation
of
molecular
vibration-rotation
spectra.
Application
to
water,
ozone
and
methane
P. Cassam-Chenaï
, J. Liévin -
EUROPHYSICS CONFERENCE ABSTRACTS ECA, (2003) - European Physical
Society;
1999
Analytical
formulas
for
the
magnetic
field
produced
by
a
spin
or
a
paramagnetic
current
density
in
the
case
of
Gaussian
basis
functions
P. Cassam-Chenaï - International
Journal of Quantum Chemistry, (2001)
The exterior
algebra: A formalism for Fermions in quantum chemistry
P. Cassam-Chenaï
in Recent research developments in quantum chemistry 2, (Transworld Research Network,
Trivandrum, 2001), p.23-39
Some
fundamental problems with zero flux partitioning of electron densities
P. Cassam-Chenaï, D. Jayatilaka -
Theoretical Chemistry Accounts: Theory, Computation, and Modelling,
(2001)
A
complement to" Some fundamental problems with zero flux partitioning of
electron densities"
P. Cassam-Chenaï, D. Jayatilaka - Theoretical Chemistry
Accounts: Theory, Computation, and Modelling, (2002)
Frequently
Asked Questions on “Some Fundamental Problems with Zero Flux
Partitioning of Electron Densities
P. Cassam-Chenaï - Journal of Mathematical Chemistry, (2002)
State-of-the-art
numerical
experiments
for
predicting
molecular
vibration-rotation
spectra
P. Cassam-Chenaï, J. Liévin - EGS XXVII General Assembly,
Nice, 21-26 April 2002, abstract #6511, (2002)
Ab
Initio
infra
red
spectra
of
iron-polycyclic
aromatic
hydrocarbons
compounds:
a
model
case
P Cassam-Chenaï - Planetary and Space Science, 50,
p.871-876, (2002)
Ensemble
representable densities for atoms and molecules. III. Analysis of
polarized neutron diffraction experiments when several Zeeman levels
are populated
P. Cassam-Chenaï - The Journal
of Chemical Physics, (2002)
Ensemble
representable
densities
for
atoms
and
molecules.
III.
Analysis
of
polarized
neutron
diffraction
experiments
when
several
Zeeman
levels
are
populated
P. Cassam-Chenaï
- document EPAPS N°: E-JCPSA6-116-303218, (2002)
Alternative
perturbation
method
for
the
molecular
vibration–rotation
problem
P. Cassam-Chenaï, J.
Liévin -
International Journal of Quantum Chemistry, (2003)
Ab
initio predictions for the Q-branch of the methane vibrational ground
state
P. Cassam-Chenaï - Journal of
Quantitative Spectroscopy and Radiative Transfer, (2003)
The
Hopf algebra of identical, fermionic particle systems-Fundamental
concepts and properties
P. Cassam-Chenaï, F.
Patras - Journal of Mathematical Physics, (2003)
Higher
order,
generalized,
Schmidt
decompositions
for
indistinguishable,
overlapping
particles
P. Cassam-Chenaï, F Patras - Physics Letters A,
(2004)
The vibrational mean-field configuration interaction (VMFCI) method: a
flexible tool for solving the molecular vibration problem
P. Cassam-Chenaï, J. Liévin in ``International Conference
on
Computational Methods in Sciences and Engineering 2004'', Lectures
Series on Computer and Computational Sciences, Vol. 1, (T. Simos et G.
Maroulis Eds. , VSP, Utrecht, Boston, 2004), pp 834-837
Generalized Hopf algebra fundamental formula for non-orthogonal group
functions
P. Cassam-Chenaï in ``International Conference on
Computational Methods in Sciences and Engineering 2005'', Lectures
Series on Computer and Computational Sciences, vol.3, (T. Simos et G.
Maroulis Eds. , Brill Academic Publishers, Leiden, The Netherlands,
2005), p.18-26
On
non-adiabatic
potential
energy
surfaces
P Cassam-Chenaï - Chemical Physics Letters, (2006)
The
VMFCI
method:
A
flexible
tool
for
solving
the
molecular
vibration
problem
P. Cassam-Chenaï, J Liévin - Journal of Computational
Chemistry, (2006)
The
electronic mean-field configuration interaction method:
I. Theory and integral formulas
P. Cassam-Chenaï - The Journal of Chemical
Physics, (2006)
A
Comparison of Two Methods for Selecting Vibrational Configuration
Interaction Spaces on a Heptatomic System: Ethylene Oxyde
D. Bégué, C. Pouchan, N. Gohaud, P. Cassam-Chenaï,
J. Liévin - The
Journal
of
Chemical
Physics
(2007)
A
Comparison of Two Methods for Selecting Vibrational Configuration
Interaction Spaces on a Heptatomic System: Ethylene Oxyde
D. Bégué, C. Pouchan, N. Gohaud, P. Cassam-Chenaï,
J. Liévin - supplementary material, (2007)
The
electronic mean-field configuration interaction method: II. Improving
Guess Geminals
P. Cassam-Chenaï, G. Granucci - Chemical Physics Letters,
(2007)
Symmetry-Adapted
Polynomial Basis for Global
Potential Energy Surfaces - Applications to XY4 Molecules
P Cassam-Chenaï, F Patras - Journal of
Mathematical Chemistry, (2008)
Generalisation
of
a
Property
of
Hamiltonians
Depending
Linearly
upon
a
Parameter
-
Application
to
a
Model
of
Inert
Gas
Matrix
Effect
on
Vibrational
Spectra
P. Cassam-Chenaï, J.-M. Chiaramello, P. G. Mezey - Journal
of
Mathematical Chemistry, (2008)
Geometric Measure of Indistinguishability for Groups of
Identical Particles
P. Cassam-Chenaï, - Physical Review A, (2008). paper selected for
the March
2008
issue
of
Virtual
Journal
of
Quantum
Information
Influence of Kinetic Coupling in Rectilinear Coordinates
on the Vibrational Spectrum of Fluoroform
P. Cassam-Chenaï, Y. Scribano, J. Liévin - Chemical
Physics
Letters,
(2008)
The Electronic Mean-Field Configuration Interaction
method: III- the p-orthogonality constraint
P. Cassam-Chenaï, V. Rassolov - Chemical
Physics
Letters,
(2010)
Rayleigh-Schrödinger
perturbation
theory
generalized
to
eigen-operators
in
non-commutative
rings
P Cassam-Chenaï - Journal of Mathematical Chemistry, (2011)
Ab
initio effective rotational Hamiltonians - A comparative study
P Cassam-Chenaï, Y. Bouret, M. Rey, S. A. Tashkun, A. V. Nikitin
and Vl. G. Tyuterev - International Journal of Quantum Chemistry,
(2011)
Frequently
Asked Questions on the mean field configuration interaction method. I-
Distinguishable degrees of freedom
P Cassam-Chenaï, A. Ilmane - Journal of Mathematical Chemistry,
(2012)
Ab
initio
calculation of the rotational spectrum of methane vibrational ground
state
P Cassam-Chenaï, J. Liévin - The Journal of Chemical
Physics,
(2012)
Contributions
of
the
electronic
spin
and
orbital
current
to
the
CoCl4 2-
magnetic field probed in polarised neutron diffraction experiments
P Cassam-Chenaï, D. Jayatilaka - The Journal of Chemical
Physics,
(2012)
The
generalized mean field configuration interaction method
P Cassam-Chenaï - HAL,
(2013)
Spin
contamination in general complex Hartree-Fock wave functions
P Cassam-Chenaï - HAL,
(2013)
De la Chimie
des milieux extrêmes aux éléments extrêmes
d'ensembles mathématiques
P Cassam-Chenaï -
Lettre de la Chimie 66, (CNRS,
Paris, 1998)
Une algèbre pour comprendre les structures atomiques
P Cassam-Chenaï -
Tangente Sup 61, Juillet 2011,
(Editions Pole,
Paris), p. 8-11.
Une algèbre pour comprendre les structures
électroniques
des atomes et des molécules
P Cassam-Chenaï (dépot
HAL)
Site de l'European Research Institute on Chinese Martial Arts