✦ LIBER ✦

Nuclear motion dependence of the electric field gradient at the 9Be nucleus in BeH+

✍ Scribed by Antonio C. Borin; Francisco B.C. Machado; Fernando R. Ornellas

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 409 KB
Volume: 196
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)85713-k

No coin nor oath required. For personal study only.

✦ Synopsis

The electric field gradient (q) at the beryllium nucleus in BeH+ has been calculated as a function of the internuclear distance using the best BeH+ wavefunction available in the literature. Nuclear motion effects on q are computed as an average of q(R) over the vibrational wavefunction. It is shown that Buckingham's expression is inappropriate to compute such a correction and therefore the results reported by Diercksen and Sadlej on BeH+ and other systems do not have the accuracy they imply to have.

📜 SIMILAR VOLUMES

Electric field gradient at the Fe nucleu

Electric field gradient at the Fe nucleus in ZrFe compounds

✍ H.M. Petrilli; S. Frota-Pesso̊a 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 275 KB

Radial analysis of the electric field gr

Radial analysis of the electric field gradient at the Cl nucleus in HCl

✍ J.E. Grabenstetter; M.A. Whitehead 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 393 KB

An OCE SCF calculation on HCI has been performed using P 29-ST0 basis. The electric field gradient at tic Cl nucleus is shown to arise principally from electron density very close to the Cl nucleus, as in ND', but in contrrrst to the situation in HD.

The vibrational dependence of the electr

The vibrational dependence of the electric field gradient in cyanamide

✍ Ronald D. Brown; Peter D. Godfrey; Martin Head-Gordon; Karl H. Wiedenmann; Burkh 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 577 KB

Near-Hartree—Fock calculation of the ele

Near-Hartree—Fock calculation of the electric field gradient tensor at the hydrogen nucleus in water

✍ Hanspeter Huber 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 245 KB

The electric field gradient tensor at the hydrogen nucleus in water has been calcuhted in an SCF calculation with local nesr-Hartree-Fock qutity using asymmetric b&s sets. The results are in excellent agreement with results obtained by Davidson and Feller with a basis set of uniform near-Hartree-Foc

Search for a Magnetic-Field Dependence o

Search for a Magnetic-Field Dependence of the Interaction of the Nuclear Quadrupole Moment with the Electric-Field Gradient

✍ B. Filsinger; P. Gutsche; U. Haeberlen; N. Weiden 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 479 KB

It is argued that the nuclear quadrupole -electric field gradi- , i, j Å x, y, z. [1] ent ( EFG ) interaction is, in principle, dependent on the presence of a magnetic field B . A rough estimate of the size of this effect yields 10 04 in fields up to 10 T. However, if the Since this potential is de

Direct experimental investigation of the

Direct experimental investigation of the average electric field gradient at the nuclear site and the determination of the static electric quadrupole moment of the excited state of a nucleus

✍ S.K. Sen 📂 Article 📅 1969 🏛 Elsevier Science ⚖ 294 KB