The long-range non-additive three-body dispersion interactions for the rare gases, alkali, and alkaline-earth atoms.

نویسندگان

  • Li-Yan Tang
  • Zong-Chao Yan
  • Ting-Yun Shi
  • James F Babb
  • J Mitroy
چکیده

The long-range non-additive three-body dispersion interaction coefficients Z(111), Z(112), Z(113), and Z(122) are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z(111) arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z(112), Z(113), and Z(122) arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole-quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Electric dipole polarizabilities at imaginary frequencies for hydrogen, the alkali–metal, alkaline–earth, and noble gas atoms

0092-640X/$ see front matter 2009 Elsevier Inc. A doi:10.1016/j.adt.2009.12.002 * Corresponding author. Tel.: +1 617 496 7612; fax E-mail addresses: [email protected] (A. Derev (S.G. Porsev), [email protected] (J.F. Babb). The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali–metal atoms, the alkaline–earth atoms, and the noble gases are tabulated alo...

متن کامل

Recommended Viscosities of 11 Dilute Gases at 25 °C

Articles you may be interested in Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces Mobility of singly-charged lanthanide cations in rare gases: Theoretical assessment of the state specificity The long-range non-additive three-body dispersion interactions for the r...

متن کامل

Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr.

Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 (1, 3)S) and He(2 (1, 3)P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

متن کامل

Retarded N - Body Dispersion Potential : Molecular QED Formulation

for 54 Sanibel Symposium, Saint Simons Island, GA 16-21 Feb., 2014 Retarded N-Body Dispersion Potential: Molecular QED Formulation J. Aldegunde and A. Salam 1 Department of Physical Chemistry, University of Salamanca, 37008 Salamanca, Spain 2 Department of Chemistry, Wake Forest University, Winston-Salem, NC 27109, USA A well-known success of the theory of non-relativistic quantum electrodynami...

متن کامل

Investigation of NMR Shielding Tensors of Para-Sulfonato-calix 141 arene Complexation with some of Alkali metal atoms

Calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. Calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. In this work studied on the complexingproperties of a ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 136 10  شماره 

صفحات  -

تاریخ انتشار 2012