A Snapshot of Molecular Electronic Structure Theory and Its Applications - (Advances in Quantum Chemistry) by Erkki J Brändas & Rodney J Bartlett

Name: A Snapshot of Molecular Electronic Structure Theory and Its Applications - (Advances in Quantum Chemistry) by Erkki J Brändas & Rodney J Bartlett
Brand: Academic Press
SKU: 1006749670
Price: 245.99 USD
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Highlights

A Snapshot of Molecular Electronic Structure Theory and its Applications, Volume 92 in the Advances in Quantum Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Polynomial expression of variable precision of molecular integrals for orbital exponents and atomic distances over STO, A first step towards the development of exchange-correlation functionals from X-ray diffraction data, Quantum Mechanical Insights into the Properties of Graphene-like Zinc Oxide (g-ZnO), Theoretical study of structural aspects and interactions between Ederavone and Cucurbit(7)uril, Time dependent potential models for atomic spectroscopy in atmospheric plasmas, and much more.
Author(s): Erkki J Brändas & Rodney J Bartlett
312 Pages
Science, Life Sciences
Series Name: Advances in Quantum Chemistry

Description

Book Synopsis

A Snapshot of Molecular Electronic Structure Theory and its Applications, Volume 92 in the Advances in Quantum Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Polynomial expression of variable precision of molecular integrals for orbital exponents and atomic distances over STO, A first step towards the development of exchange-correlation functionals from X-ray diffraction data, Quantum Mechanical Insights into the Properties of Graphene-like Zinc Oxide (g-ZnO), Theoretical study of structural aspects and interactions between Ederavone and Cucurbit(7)uril, Time dependent potential models for atomic spectroscopy in atmospheric plasmas, and much more.

Additional chapters cover Anionic resonances of Mg and Ca from an electron propagator based on a multiconfigurational reference state and a complex absorbing potential, Massively Lockstep-Parallel Algorithms for Full-Isomerspace Geometry Optimization, A Comprehensive Investigation of the Dirac-like Equation. A case study hydrogen-like atomic and molecular systems, Many-Body Expansion of systems from Hydrogen bonded systems to Light Nuclear Systems, and more.

Dimensions (Overall): 9.1 Inches (H) x 6.0 Inches (W) x .9 Inches (D)

Weight: 1.45 Pounds

Suggested Age: 22 Years and Up

Number of Pages: 312

Genre: Science

Sub-Genre: Life Sciences

Series Title: Advances in Quantum Chemistry

Publisher: Academic Press

Theme: Biophysics

Format: Hardcover

Author: Erkki J Brändas & Rodney J Bartlett

Language: English

Street Date: September 29, 2025

TCIN: 1006749670

UPC: 9780443415821

Item Number (DPCI): 247-27-9253

Origin: Made in the USA or Imported

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Shipping details

Estimated ship dimensions: 0.9 inches length x 6 inches width x 9.1 inches height

Estimated ship weight: 1.45 pounds

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