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1

Locality and nonlocality in quantum mechanics: A two-proton EPR experiment

Roy McWeeny, Claudio Amovilli

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 204 KB

english, 1999

2

Quantum information: Jaynes and Shannon entropies in a two-electron entangled artificial atom

Amovilli, Claudio, March, Norman H.

Journal:

Physical Review A

Year:

2004

Language:

english

File:

PDF, 46 KB

english, 2004

3

[Advances in Quantum Chemistry] Volume 32 || Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model

Amovilli, Claudio

Year:

1998

Language:

english

File:

PDF, 1.69 MB

english, 1998

4

Theoretical modeling of the symmetric (C2v) electrophilic attachment of chlorine to ethylene in aqueous solution

Claudio Amovilli, Franca Maria Floris, Benedetta Mennucci

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 370 KB

english, 1999

5

Perturbation calculations of molecular interaction energies: an example, HF....HF

Claudio Amovilli, Roy McWeeny

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 572 KB

english, 1986

6

Calculation of the dispersion energy contribution to the solvation free energy

Claudio Amovilli

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 468 KB

english, 1994

7

A matrix partitioning approach to the calculation of intermolecular potentials. General theory and some examples

Claudio Amovilli, Roy McWeeny

Journal:

Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.58 MB

english, 1990

8

Molecular interactions: a study of charge transfer effects

Claudio Amovilli, Roy McWeeny

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 449 KB

english, 1995

9

On the effect of Pauli repulsion and dispersion on static molecular polarizabilities and hyperpolarizabilities in solution

Benedetta Mennucci, Claudio Amovilli, Jacopo Tomasi

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 65 KB

english, 1998

10

Feynman propagator and Slater sum for a model Hamiltonian motivated by H in an intense magnetic field

Claudio Amovilli, Norman H. March

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 133 KB

english, 2006

11

Inequivalent electron densities derived from an approximate correlated ground-state wave function using the Hiller–Sucher–Feinberg identity: Comparisons with quantum Monte Carlo densities for He and Ne atoms

Claudio Amovilli, Norman H. March

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 116 KB

english, 2009

12

Structure and dynamics of mesogens using intermolecular potentials derived fromab initiocalculations

Claudio Amovilli, Ivo Cacelli, Giorgio Cinacchi, Luca De Gaetani, Giacomo Prampolini, Alessandro Tani

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 2.35 MB

english, 2007

13

Electronic Energy Spectrum of Two-Dimensional Solids and a Chain of C Atoms from a Quantum Network Model

Claudio Amovilli, Frederik E. Leys, Norman H. March

Journal:

Journal of Mathematical Chemistry

Year:

2004

Language:

english

File:

PDF, 220 KB

english, 2004

14

Shape and similarity: two aspects of molecular recognition

Claudio Amovilli, Roy McWeeny

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1991

Language:

english

File:

PDF, 505 KB

english, 1991

15

Four electrons interacting pairwise in the limit of infinitesimal confining potentials: Especially the quintet spin state

Ali Akbari, Claudio Amovilli, Norman H. March, Angel Rubio

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 223 KB

english, 2012

16

Self-Consistent-Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model

Amovilli, Claudio, Mennucci, Benedetta

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 188 KB

english, 1997

17

Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions

Fracchia, Francesco, Filippi, Claudia, Amovilli, Claudio

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.17 MB

english, 2013

18

Size-Extensive Wave Functions for Quantum Monte Carlo: A Linear Scaling Generalized Valence Bond Approach

Fracchia, Francesco, Filippi, Claudia, Amovilli, Claudio

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 501 KB

english, 2012

19

Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes

Amovilli, Claudio, Filippi, Claudia, Floris, Franca Maria

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 88 KB

english, 2006

20

Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects?

Cupellini, Lorenzo, Amovilli, Claudio, Mennucci, Benedetta

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 748 KB

english, 2015

21

MCSCF Study of the S N 2 Menshutkin Reaction in Aqueous Solution within the Polarizable Continuum Model

Amovilli, Claudio, Mennucci, Benedetta, Floris, Franca Maria

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 78 KB

english, 1998

22

Theoretical Study of the Proton Transfer between Water and [FeH(CO) 4 ] - in Aqueous Solution and Relevance to the Water-Gas Shift Reaction Catalyzed by Iron Pentacarbonyl in the Condensed Phase

Amovilli, Claudio, Floris, Franca Maria, Solà, Miquel, Tomasi, Jacopo

Journal:

Organometallics

Year:

2001

Language:

english

File:

PDF, 126 KB

english, 2001

23

Solubility of water in liquid hydrocarbons: a bridge between the polarizable continuum model and the mobile order theory

Amovilli, Claudio, Floris, Franca Maria

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

24

Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study

Guareschi, Riccardo, Floris, Franca Maria, Amovilli, Claudio, Filippi, Claudia

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 644 KB

english, 2014

25

Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4ʹ- cyanobiphenyl (5CB) dimer

Amovilli, Claudio, Cacelli, Ivo, Campanile, Silvio, Prampolini, Giacomo

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 460 KB

english, 2002

26

with a semiquantitative application to planar ring clusters

Amovilli, Claudio, March, Norman H.

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 97 KB

english, 2006

27

Density matrices in direct and momentum space for a model of the He-like sequence of atomic ions

Amovilli, Claudio, March, Norman H.

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 152 KB

english, 2005

28

Multi-level quantum monte Carlo wave functions for complex reactions: The decomposition of α-hydroxy-dimethylnitrosamine

Fracchia, Francesco, Filippi, Claudia, Amovilli, Claudio

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 1.11 MB

english, 2014

29

Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

Floris, Franca Maria, Filippi, Claudia, Amovilli, Claudio

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 462 KB

english, 2014

30

Study of Dispersion Forces with Quantum Monte Carlo: Toward a Continuum Model for Solvation

Amovilli, Claudio, Floris, Franca Maria

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 393 KB

english, 2015

31

Ornstein-Zernike function and Coulombic correlation in the homogeneous electron liquid

Amovilli, Claudio, March, Norman H.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 319 KB

english, 2007

32

A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium

Floris, Franca Maria, Filippi, Claudia, Amovilli, Claudio

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 4.63 MB

english, 2012

33

Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory

Amovilli, Claudio, Filippi, Claudia, Floris, Franca Maria

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 489 KB

english, 2008

34

Low-lying Adiabatic Electronic States of NO: a QMC Study

Giannelli, Luigi, Amovilli, Claudio

Journal:

Croatica Chemica Acta

Year:

2013

Language:

english

File:

PDF, 6.21 MB

english, 2013

35

Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo

Zulfikri, Habiburrahman, Amovilli, Claudio, Filippi, Claudia

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 928 KB

english, 2016

36

Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States

Guareschi, Riccardo, Zulfikri, Habiburrahman, Daday, Csaba, Floris, Franca Maria, Amovilli, Claudio, Mennucci, Benedetta, Filippi, Claudia

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 738 KB

english, 2016

37

[Theoretical and Computational Chemistry] Valence Bond Theory Volume 10 || VB analysis of wavefunctions calculated for chemical reactions in solution

Amovilli, Claudio

Year:

2002

Language:

english

File:

PDF, 1.53 MB

english, 2002

38

Shannon Entropy in Atoms: A Test for the Assessment of Density Functionals in Kohn-Sham Theory

Amovilli, Claudio, Floris, Franca

Journal:

Year:

2018

Language:

english

File:

PDF, 262 KB

english, 2018

39

On the effect of solute-solvent Pauli repulsion on n → π * transition for acrolein in water solution

Amovilli, Claudio, Floris, Franca Maria

Journal:

Physics and Chemistry of Liquids

Year:

2019

Language:

english

File:

PDF, 1.43 MB

english, 2019

40

On the effect of solute-solvent Pauli repulsion on n → π * transition for acrolein in water solution

Amovilli, Claudio, Floris, Franca Maria

Journal:

Physics and Chemistry of Liquids

Year:

2019

File:

PDF, 1.43 MB

2019

41

Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals

Amovilli, Claudio, Floris, Franca, Grisafi, Andrea

Journal:

Year:

2016

File:

PDF, 561 KB

2016

42

Intermolecular Pauli repulsion: a QMC study of molecules in ground and excited state in free space and in solution

Floris, Franca Maria, Amovilli, Claudio

Journal:

Molecular Physics

Year:

2020

File:

PDF, 2.27 MB

2020

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