State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry
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Normalizing cluster wavefunctions in the interstitial region within the muffin-tin approximation

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2019.04.005 ◽

2019 ◽

pp. 97-112

Author(s):

Daniel Gebremedhin ◽

Charles Weatherford ◽

Brian Wilson

Keyword(s):

Interstitial Region

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Series Page

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/s0065-3276(19)30044-9 ◽

2019 ◽

pp. ii

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Configuration interaction study of the 3P ground and low-lying states of the boron anion. The boron electron affinity

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2019.04.006 ◽

2019 ◽

pp. 135-153

Author(s):

María Belén Ruiz

Keyword(s):

Electron Affinity ◽

Configuration Interaction ◽

Interaction Study

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Contributors

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/s0065-3276(19)30048-6 ◽

2019 ◽

pp. xi-xiii

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Introduction

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/s0065-3276(19)30063-2 ◽

2019 ◽

pp. 239

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Stability after confinement of the H atom

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2019.03.002 ◽

2019 ◽

pp. 323-336 ◽

Cited By ~ 1

Author(s):

Milagros F. Morcillo ◽

Enrique F. Borja ◽

José M. Alcaraz-Pelegrina ◽

Antonio Sarsa

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Index

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/s0065-3276(19)30064-4 ◽

2019 ◽

pp. 337-341

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An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2019.05.005 ◽

2019 ◽

pp. 241-261 ◽

Cited By ~ 10

Author(s):

Johanna P. Carbone ◽

Lan Cheng ◽

Rolf H. Myhre ◽

Devin Matthews ◽

Henrik Koch ◽

...

Keyword(s):

Standard Basis ◽

Basis Sets ◽

Coupled Cluster ◽

Coupled Cluster Methods ◽

Core Excitations ◽

Cluster Methods

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Two-dimensional Sturmian basis set for bound state calculations

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2019.05.001 ◽

2019 ◽

pp. 79-95

Author(s):

Juan Martín Randazzo ◽

Lorenzo Ugo Ancarani

Keyword(s):

Bound State ◽

Basis Set ◽

Two Dimensional

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Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2019.04.004 ◽

2019 ◽

pp. 289-310

Author(s):

Gabriel Breuil ◽

Kaltrina Shehu ◽

Elise Lognon ◽

Sylvain Pitié ◽

Benjamin Lasorne ◽

...

Keyword(s):

Electronic Transitions ◽

Molecular Electronic

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State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Elsevier

Normalizing cluster wavefunctions in the interstitial region within the muffin-tin approximation

Series Page

Configuration interaction study of the 3P ground and low-lying states of the boron anion. The boron electron affinity

Contributors

Introduction

Stability after confinement of the H atom

Index

An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets

Two-dimensional Sturmian basis set for bound state calculations

Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More - Advances in Quantum Chemistry
Latest Publications