£107.43

Springer Computational Materials Chemistry: Methods and Applications

Price data last checked 100 day(s) ago - refreshing...

View at Amazon

We'll watch every seller, every day. One email when your price arrives.

About as cheap as it gets. The only time it was cheaper was 1 year ago.

£107 today · all-time low £104 (Jun 2025) · usually the usual

NEW HERE?

Amazon shows you one price. We show you all of them.

Tosheroon watches Amazon prices so you don't have to. Every product on Amazon has a price history — we make it visible. Set the price you'd actually pay, and we'll email you the second it gets there. No app, no account, one email.

WHAT'S ON THIS PAGE

↓ Price chart
when this has been cheap or pricey
↓ Forecast
where the price is heading next
↓ Statistics
all-time high & low, recent range
↑ Price alert
name your number, we'll email you

Price History & Forecast

Grey patches = out of stock. Cheaper = lower on the chart. Hover for exact prices.

Last 631 days • 631 data points (No recent data available)

Historical
Generating forecast...
£129.68 £101.93 £107.98 £114.04 £120.09 £126.15 £132.20 09 June 2024 13 November 2024 20 April 2025 24 September 2025 01 March 2026

Price Distribution

Price distribution over 631 days • 7 price levels

Days at Price
Current Price
67 days 214 days 123 days 150 days · current 35 days 23 days 19 days 0 54 107 161 214 £104 £105 £106 £107 £109 £110 £130 Days at Price

Price Analysis

Most common price: £105 (214 days, 33.9%)

Price range: £104 - £130

Price levels: 7 different prices over 631 days

Description

As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable for elucidating chemical processes on silicon and other semiconductor surfaces. However, it is also clear that some of the systems to which DFT methods have been applied have large non-dynamical correlation effects, which may not be properly handled by the current generation of Kohn-Sham-based density functionals. For example, our CASSCF calculations on the Si(001)/acetylene system reveal that at some geometries there is extensive 86 configuration mixing. This, in turn, could signal problems for DFT cal- lations on these systems. Some of these problem systems can be addressed using ONIOM or other “layering” methods, treating the primary region of interest with a CASMP2 or other multireference-based method, and treating the secondary region by a lower level of electronic structure theory or by use of a molecular mechanics method. ACKNOWLEDGEMENTS We wish to thank H. Jónsson, C. Sosa, D. Sorescu, P. Nachtigall, and T. -C.

Product Specifications

Format
Paperback
Domain
Amazon UK
Release Date
19 October 2010
Listed Since
20 September 2010

Barcode

No barcode data available

Similar Products You Might Like

Dynamical Mean-Field Theory for Strongly Correlated Materials
96% match

Dynamical Mean-Field Theory for Strongly Correlated Materials

Springer

£112.75 01 Mar 2026
Density Functional Theory in Quantum Chemistry
96% match

Density Functional Theory in Quantum Chemistry

Springer

£107.27 27 Feb 2026
Hartree-Fock Ab Initio Treatment of Crystalline Systems: 48 (Lecture Notes in Chemistry, 48)
96% match

Hartree-Fock Ab Initio Treatment of Crystalline Systems: 48 (Lecture Notes in Chemistry, 48)

Springer

£84.13 15 Feb 2026
The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State: 14 (Progress in Theoretical Chemistry and Physics, 14)
96% match

The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State: 14 (Progress in Theoretical Chemistry and Physics, 14)

Springer

£143.31 15 Jan 2026
Principles and Applications of Density Functional Theory in Inorganic Chemistry II: 113 (Structure and Bonding, 113)
96% match

Principles and Applications of Density Functional Theory in Inorganic Chemistry II: 113 (Structure and Bonding, 113)

Springer

£201.60 12 Jan 2026
Energy Level Alignment and Electron Transport Through Metal/Organic Contacts: From Interfaces to Molecular Electronics (Springer Theses)
96% match

Energy Level Alignment and Electron Transport Through Metal/Organic Contacts: From Interfaces to Molecular Electronics (Springer Theses)

Springer

£73.48 23 Feb 2026
Many-Body Approach to Electronic Excitations: Concepts and Applications: 181 (Springer Series in Solid-State Sciences, 181)
96% match

Many-Body Approach to Electronic Excitations: Concepts and Applications: 181 (Springer Series in Solid-State Sciences, 181)

Springer

£151.90 18 Apr 2026
Springer Many-Body Approach to Electronic Excitations Book
96% match

Springer Many-Body Approach to Electronic Excitations Book

Springer

£113.54 18 Apr 2026
Principles and Applications of Density Functional Theory in Inorganic Chemistry II: 113 (Structure and Bonding, 113)
96% match

Principles and Applications of Density Functional Theory in Inorganic Chemistry II: 113 (Structure and Bonding, 113)

Springer

£117.40 23 Jan 2026
The Fundamentals of Density Functional Theory: 32 (Teubner Texte zur Physik, 32)
95% match

The Fundamentals of Density Functional Theory: 32 (Teubner Texte zur Physik, 32)

Vieweg+Teubner Verlag

£77.63 01 Apr 2026
Density Functional Theory: Current Trends and Applications: Volume 25 (Theoretical and Computational Chemistry, Volume 25)
95% match

Density Functional Theory: Current Trends and Applications: Volume 25 (Theoretical and Computational Chemistry, Volume 25)

£144.76 12 Jan 2026
Springer Practical Aspects of Computational Chemistry I Book
95% match

Springer Practical Aspects of Computational Chemistry I Book

Springer

£145.52 19 Apr 2026
Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends
95% match

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends

Springer

£130.61 10 Feb 2026
Second-Order Phase Transitions and the Irreducible Representation of Space Groups: 32 (Lecture Notes in Chemistry, 32)
95% match

Second-Order Phase Transitions and the Irreducible Representation of Space Groups: 32 (Lecture Notes in Chemistry, 32)

Springer

£44.92 12 Apr 2026
Atomic-Scale Modelling of Electrochemical Systems
95% match

Atomic-Scale Modelling of Electrochemical Systems

Wiley

£106.88 12 Apr 2026
Computer Algebra and Materials Physics: A Practical Guidebook to Group Theoretical Computations in Materials Science: 272 (Springer Series in Materials Science, 272)
95% match

Computer Algebra and Materials Physics: A Practical Guidebook to Group Theoretical Computations in Materials Science: 272 (Springer Series in Materials Science, 272)

Springer

£80.54 15 Feb 2026
Density Functional Theory: An Advanced Course (Theoretical and Mathematical Physics)
95% match

Density Functional Theory: An Advanced Course (Theoretical and Mathematical Physics)

Springer

£107.12 26 Mar 2026
Interatomic Forces in Condensed Matter (Oxford Series on Materials Modelling): 1
95% match

Interatomic Forces in Condensed Matter (Oxford Series on Materials Modelling): 1

Oxford University Press

£51.19 15 Feb 2026
A Chemist's Guide to Density Functional Theory 2e
95% match

A Chemist's Guide to Density Functional Theory 2e

Wiley

£67.05 28 Jan 2026
Springer Density Functional Theory of Molecules, Clusters, and Solids
95% match

Springer Density Functional Theory of Molecules, Clusters, and Solids

Springer

£125.37 13 Apr 2026
Vibronic Coupling Density: Understanding Molecular Deformation (SpringerBriefs in Molecular Science)
95% match

Vibronic Coupling Density: Understanding Molecular Deformation (SpringerBriefs in Molecular Science)

Springer

£57.46 24 Feb 2026
Density Functional Theory in Quantum Chemistry
95% match

Density Functional Theory in Quantum Chemistry

Springer

£107.43 13 Mar 2026
Electronic Structure Crystallography and Functional Motifs of Materials
95% match

Electronic Structure Crystallography and Functional Motifs of Materials

Wiley

£84.97 08 Jan 2026
Accurate Condensed-Phase Quantum Chemistry (Computation in Chemistry)
95% match

Accurate Condensed-Phase Quantum Chemistry (Computation in Chemistry)

CRC Press

£89.47 12 Dec 2025