![]() SOLVING THE SCHRÖDINGER EQUATION
Has Everything Been Tried?
edited by Paul Popelier (University of Manchester, UK)
400pp (approx.)
978-1-84816-724-7: US$130 / £81 US$91 /
£56.70
The Schrödinger equation is the master equation of quantum
chemistry. The founders of quantum mechanics realised how this equation
underpins essentially the whole of chemistry. However, they recognised
that its exact application was much too complicated to be soluble at
the time. More than two generations of researchers were left to work
out how to achieve this ambitious goal for molecular systems of
ever-increasing size. This book focuses on non-mainstream methods to
solve the molecular electronic Schrödinger equation. Each method is
based on a set of core ideas and this volume aims to explain these
ideas clearly so that they become more accessible. By bringing together
these non-standard methods, the book intends to inspire graduate
students, postdoctoral researchers and academics to think of novel
approaches. Is there a method out there that we have not thought of
yet? Can we design a new method that combines the best of all worlds?
Contents:
- Intracule Functional Theory (D L Crittenden
& P M W Gill)
- "r12 methods" (F Manby)
- Solving Problems with Strong Correlation using
Density Matrix Renormalization Group (DMRG) (G K-L Chan & S
Sharma)
- Reduced Density Matrix Theory for Many-Electron
Correlation (D A Mazziotti)
- Finite Size Scaling for Criticality of the
Schrödinger Equation (S Kais)
- The Generalized Sturmian Method (J Avery
& J Avery)
- Slater-type Orbital Basis Sets: Reliable and
Rapid Solution of the Schrödinger Equation for Accurate Molecular
Properties (P E Hoggan)
- Modern Ab-Initio Valence Bond Methods (P C
Hiberty & S Shaik)
- Quantum Monte Carlo Approaches for Tackling
Electronic Correlation (M Mella & G Morosi)
- Solving the Schrödinger Equation on Real Space
Grids and with Random Walks (T L Beck & J H Dedrick)
- Solving the Schrödinger Equation: Has
Everything Been Tried? Changes in Dense Linear Algebra Kernels
Decades-Long Perspective (P Luszczek et al.)
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