P. Cassam-Chenaï

发表

A comparison of two methods for selecting vibrational configuration interaction spaces on a heptatomic system: ethylene oxide.

D. Bégué, C. Pouchan, N. Gohaud, 2007, The Journal of chemical physics.

Ab initio effective rotational Hamiltonians: A comparative study

A. Nikitin, S. Tashkun, V. Tyuterev, 2012 .

A fast algorithm for the construction of integrity bases associated to symmetry-adapted polynomial representations: application to tetrahedral $$\mathrm {XY_4}$$XY4 molecules

F. Patras, P. Cassam-Chenaï, G. Dhont, 2013, 1311.0746.

Generalization of the concepts of seniority number and ionicity

P. Cassam-Chenaï, Thomas Perez, 2017, Journal of Mathematical Chemistry.

A quantum chemical definition of electron–nucleus correlation

Wenjian Liu, B. Suo, P. Cassam-Chenaï, 2017, Theoretical Chemistry Accounts.

Influence of kinetic coupling in rectilinear coordinates on the vibrational spectrum of fluoroform

Y. Scribano, P. Cassam-Chenaï, J. Liévin, 2008 .

The Electronic Mean-Field Configuration Interaction method: III- the p-orthogonality constraint

V. Rassolov, P. Cassam-Chenaï, 2010 .

The electronic mean field configuration interaction method: II – Improving guess geminals

G. Granucci, P. Cassam-Chenaï, 2007 .

Higher order, generalized, Schmidt decompositions for indistinguishable, overlapping particles

F. Patras, P. Cassam-Chenaï, 2004 .

A chemical application of the algebraic concept of internal space

G. Granucci, P. Cassam-Chenaï, Y. Ellinger, 1998 .

Symmetrizing broken symmetry wave functions in quantum chemistry

P. Cassam-Chenaï, 1998 .

Ab initio infra-red spectra of iron-polycyclic aromatic hydrocarbon compounds: a model case

P. Cassam-Chenaï, 2002 .

Geometric Measure of Indistinguishability for Groups of Identical Particles

P. Cassam-Chenaï, 2008 .

The electronic mean-field configuration interaction method. I. Theory and integral formulas.

P. Cassam-Chenaï, 2006, The Journal of chemical physics.

Spin‐unrestricted calculations in quantum chemistry

P. Cassam-Chenaï, G. Chandler, 1993 .

Rayleigh-Schrödinger perturbation theory generalized to eigen-operators in non-commutative rings

P. Cassam-Chenaï, 2011 .

A Comparison of Two Methods for Selecting Vibrational Configuration Interaction Spaces on a Heptatomic System: Ethylene Oxyde

D. Bégué, C. Pouchan, N. Gohaud, 2018 .

A Fast Algorithm for the Construction of Integrity Bases Associated to Symmetry-Adapted Polynomial Representations. Application to Tetrahedral XY4 Molecules

F. Patras, P. Cassam-Chenaï, G. Dhont, 2013 .

Electronic and vibronic dipole moments of CH2D

P. Cassam-Chenaï, F. Pauzat, Y. Ellinger, 1995 .

Photonenergy-controlled symmetry breaking with circularly polarized light.

Laurent Nahon, Chaitanya Giri, Cornelia Meinert, 2014, Angewandte Chemie.

Contributions of the electronic spin and orbital current to the CoCl4(2-) magnetic field probed in polarised neutron diffraction experiments.

D. Jayatilaka, P. Cassam-Chenaï, 2012, The Journal of chemical physics.

Ensemble representable densities for atoms and molecules. III. Analysis of polarized neutron diffraction experiments when several Zeeman levels are populated

P. Cassam-Chenaï, 2002 .

ENSEMBLE-REPRESENTABLE DENSITIES FOR ATOMS AND MOLECULES. II. APPLICATION TO COCL42-

P. Cassam-Chenaï, B. Figgis, S. Wolff, 1996 .

2D-block geminals: A non 1-orthogonal and non 0-seniority model with reduced computational complexity.

P. Cassam-Chenaï, Thomas Perez, Davide Accomasso, 2022, The Journal of chemical physics.

Theoretical Study of the Anisotropy Spectra of the Valine Zwitterion and Glyceraldehyde.

Jie Su, B. Suo, P. Cassam-Chenaï, 2020, The journal of physical chemistry. A.

Spin contamination and noncollinearity in general complex Hartree–Fock wave functions

P. Cassam-Chenaï, 2015, Theoretical Chemistry Accounts.

Anharmonic vibrational spectroscopy of polycyclic aromatic hydrocarbons (PAHs).

C. Joblin, G. Mulas, C. Falvo, 2018, The Journal of chemical physics.

Ab initio calculation of the rotational spectrum of methane vibrational ground state.

P. Cassam-Chenaï, J. Liévin, 2012, The Journal of chemical physics.

An improved third order dipole moment surface for methane

P. Cassam-Chenaï, J. Liévin, 2013 .

Smeared Coulomb potential orbitals: I—asymptotic expansion

G. Lebeau, P. Cassam-Chenaï, 2021, Journal of Mathematical Chemistry.

Variational spaces of electronic calculations in quantum chemistry

P. Cassam-Chenaï, 1994 .

The VMFCI method: A flexible tool for solving the molecular vibration problem

P. Cassam-Chenaï, J. Liévin, P. Cassam-Chenaï, 2006, J. Comput. Chem..

Application of quasi-degenerate perturbation theory to the calculation of rotational energy levels of methane vibrational polyads.

Y. Bouret, G. Rousseau, M. Rey, 2015, The Journal of chemical physics.

Ab initio predictions for the Q-branch of the methane vibrational ground state

P. Cassam-Chenaï, 2003 .

Frequently asked questions on the mean field configuration interaction method. I-distinguishable degrees of freedom

P. Cassam-Chenaï, A. Ilmane, 2012, Journal of Mathematical Chemistry.

Alternative perturbation method for the molecular vibration-rotation problem

P. Cassam-Chenaï, J. Liévin, 2003 .

Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method

Wenjian Liu, B. Suo, P. Cassam-Chenaï, 2015 .

A new approach for calculating rotational spectra

P. Cassam-Chenaï, J. Liévin, Parc Valrose, 2010 .

A fast algorithm for the construction of integrity bases associated to symmetry-adapted polynomial representations: application to tetrahedral $$\mathrm {XY_4}$$XY4 molecules

F. Patras, P. Cassam-Chenaï, G. Dhont, 2013, Journal of Mathematical Chemistry.

Symmetry-adapted polynomial basis for global potential energy surfaces-applications to XY4 molecules

Frédéric Patras, Patrick Cassam-Chenaï, F. Patras, 2008 .

How particles acquire their spin: a Higgs-like mechanism

P. Cassam-Chenaï, 2012 .

A mathematical definition of molecular structure – open problem

P. Cassam-Chenaï, 1998 .

Is stripping of polycyclic aromatic hydrocarbons a route to molecular hydrogen

P. Cassam-Chenaï, F. Pauzat, Y. Ellinger, 2008 .

The generalized mean field configuration interaction method

P. Cassam-Chenaï, 2013 .