On the interaction hyperpolarisability of He2, He3 and Ne2. An AB initio study
References (37)
- et al.
Chem. Phys. Letters
(1985) - et al.
Chem. Phys. Letters
(1976) - et al.
At. Data
(1971) - et al.
Chem. Phys. Letters
(1974) - et al.
Chem. Phys.
(1977) - et al.
Chem. Phys. Letters
(1983) - et al.
Chem. Phys. Letters
(1984) - et al.
Quart. Rev. Chem. Soc.
(1967) - et al.
J. Chem. Phys.
(1986) - et al.
J. Chem. Phys.
(1986)
Phys. Rev. Letters
J. Chem. Phys.
Phys. Rev.
J. Chem. Phys.
Mol. Phys.
Mol. Phys.
Chem. Rev.
Theoret. Chim. Acta
Cited by (27)
Structural distribution in mixed ternary noble gas and Lennard-Jones clusters
2013, Chemical PhysicsCitation Excerpt :Ab initio and DFT methods were used to obtain the variation of the interaction-induced dipole moment, transversal and longitudinal polarizability and the corresponding invariants mean and anisotropy in the Kr–He heterodiatom, and analysis of the performance of the theoretical methods revealed a clear differentiation between ab initio and DFT methods [7]. The interaction hyperpolarisability of He2, Ne2, and He3 was discussed using an ab initio wave function, McWeeny’s coupled Hartree–Fock perturbation theory and an efficient algorithm [8]. Furthermore, collision-induced hyper-Rayleigh spectra of Ne–Ar [9], He–Ne [10], and He–Ar [11] were computed, and the spectral features were discussed.
On the cooperativity of the interaction-induced (hyper)polarizabilities of the selected hydrogen-bonded trimers
2007, Chemical Physics LettersCitation Excerpt :The extensive theoretical discussions of the interaction-induced (hyper)polarizabilities can be found in the Letters, by Hunt [4], Buckingham et al. [5], Fowler et al. [6], Moszynski et al. [7] and Bancewicz [8]. Ab initio calculations of these properties have been performed for a number of small van der Waals complexes by Maroulis [9], Papadopoulos and Waite [10], Wang et al. [11], Hättig et al. [12] and Skwara et al. [13] among others. Nowadays, it is well established that intermolecular interactions can affect strongly the molecular electric properties [2,3].
Density functional study of structures and interaction hyperpolarizabilities of NH<inf>3</inf>-HCl-(H<inf>2</inf>O)<inf>n</inf> (n = 0-4) clusters
2003, Chemical Physics LettersCitation Excerpt :The studies of the interaction hyperpolarizability of some small van der Waals clusters have already been carried out. The clusters involve in He2, He3 and Ne2[18]; Ar2 and He2[19–21]; H2–H2, Ne–HF, Ne–FH, He2, Ar2 and Kr2[22]; (H2O)2[23]. For the complex clusters NH3–HCl–(H2O)n (n=0–4), the calculation on interaction hyperpolarizabilities is a challenge to quantum chemistry, which includes the effects of the intermolecular proton transfer on the dipole moment μ0, polarizability α0 and first hyperpolarizability β0 of the NH3–HCl subunits.
Ab initio study of the interaction hyperpolarizabilities of the van der Waals complex Ar-HF
2003, Journal of Molecular Structure: THEOCHEMInteraction induced (hyper)polarizability in Ne ⋯ Ar
2002, Chemical Physics LettersCitation Excerpt :Conventional ab initio calculations of interaction dipole moments and polarizabilities are numerous and have been analysed and reviewed [1,2]. Interaction hyperpolarizability calculations are notably few [18–20]. In this Letter we turn our attention to the interaction properties of NeAr.
Hyperpolarizabilities measured for interacting molecular pairs
1993, Chemical Physics Letters